Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL1701013 | 1.00 | — | — | |
| Bicarbonate SCHEMBL1700772 | 1.00 | — | — | |
| Bicarbonate SCHEMBL27881029 | 0.94 | CA4 (0.50) | — | |
| Bicarbonate SCHEMBL29365079 | 0.94 | — | — | |
| Bicarbonate SCHEMBL32918 | 0.94 | — | — | |
| Bicarbonate SCHEMBL9576697 | 0.94 | CA4 (0.50) | — | |
| Bicarbonate SCHEMBL1908265 | 0.94 | — | — | |
| Bicarbonate SCHEMBL1291 | 0.94 | — | — | |
| Bicarbonate SCHEMBL23849739 | 0.88 | CA4 (0.60) | — | |
| Bicarbonate SCHEMBL3395193 | 0.88 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0850635-B1 | Process for oxydative dyeing of keratinic fibers in two steps with a manganese salt or a manganese complex and a 1-naphtol substituted in position 4 and a dyeing set | OREAL (FR) | 1999-07-14 | — | — | EP | claimed |
| US-5873910-A | IN FIRST STAGE APPLYING TO KERATIN FIBER A FIRST SOLUTION CONTAINING IN A DYEING MEDIUM A MANGANESE SALT AND/OR COMPLEX, IN SECOND STAGE, APPLYING TO THE HAIR A SOLUTION WHICH CONTAINS 4-SUBSTITUED NAPHTHOL/1-/ AND AN OXIDIZER | L'OREAL (FR) | 1999-02-23 | — | — | US | claimed |
| US-5769902-A | FREE OF OXIDIZERS OTHER THAN AIR, LESS DESTRUCTIVE TO KERATIN FIBERS | L'OREAL (FR) | 1998-06-23 | — | — | US | claimed |
| EP-0749748-B1 | Compositions for dyeing keratinous fibers comprising ortho-diamino pyrazole and a manganese salt and dyeing process using such a composition | OREAL (FR) | 1997-05-21 | — | — | EP | claimed |
| EP-0697211-B1 | Use of a metallic salt in a two-steps dyeing process based on a indole compound | OREAL (FR) | 1996-10-09 | — | — | EP | claimed |
| EP-0697210-B1 | Use of a manganese, zinc and/or cobalt salt in a two-steps dyeing process based on an ondole or indoline compound | OREAL (FR) | 1996-09-25 | — | — | EP | claimed |
| US-10292921-B2 | Hair dyeing process using a composition comprising at least one indol(in)e compound and a polycyclic aromatic compound containing at least ten carbon atoms | L'OREAL (FR) | 2019-05-21 | — | — | US | disclosed |
| US-20180092822-A1 | HAIR DYEING PROCESS USING A COMPOSITION COMPRISING AT LEAST ONE INDOL(IN)E COMPOUND AND A POLYCYCLIC AROMATIC COMPOUND CONTAINING AT LEAST TEN CARBON ATOMS | L'OREAL (FR) | 2018-04-05 | — | — | US | disclosed |
| EP-2582351-B1 | HAIR DYEING PROCESS USING A COMPOSITION COMPRISING AT LEAST ONE INDOLE OR INDOLINE COMPOUND, A METAL SALT, HYDROGEN PEROXIDE AND A BASIFYING AGENT | L'ORÉAL (FR) | 2017-08-02 | — | — | EP | disclosed |
| EP-3148648-A1 | HAIR DYEING PROCESS USING A COMPOSITION COMPRISING AT LEAST ONE INDOL(IN)E COMPOUND AND A POLYCYCLIC AROMATIC COMPOUND CONTAINING AT LEAST TEN CARBON ATOMS | L'OREAL (FR) | 2017-04-05 | — | — | EP | disclosed |
| EP-2723306-B1 | HAIR DYEING PROCESS USING AT LEAST ONE ORTHO-DIPHENOL, A MANGANESE OR ZINC SALT, HYDROGEN PEROXIDE, (BI)CARBONATE, AN ALKALINE AGENT AND A TITANIUM OR SCANDIUM SALT | L'ORÉAL (FR) | 2016-12-28 | — | — | EP | disclosed |
| WO-2015181244-A1 | HAIR DYEING PROCESS USING A COMPOSITION COMPRISING AT LEAST ONE INDOL(IN)E COMPOUND AND A POLYCYCLIC AROMATIC COMPOUND CONTAINING AT LEAST TEN CARBON ATOMS | L'OREAL (FR) | 2015-12-03 | — | — | WO | disclosed |
| EP-2723306-A2 | HAIR DYEING PROCESS USING AT LEAST ONE ORTHO-DIPHENOL, A MANGANESE OR ZINC SALT, HYDROGEN PEROXIDE, (BI)CARBONATE, AN ALKALINE AGENT AND A TITANIUM OR SCANDIUM SALT | L'Oréal (FR) | 2014-04-30 | — | — | EP | disclosed |
| US-20030019051-A9 | Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation | L'OREAL | 2003-01-30 | — | — | US | disclosed |
| US-20020050013-A1 | Composition for dyeing keratin fibers which contain at least one diaminopyrazole, dyeing process, novel diaminopyrazoles and process for their preparation | L'OREAL | 2002-05-02 | — | — | US | disclosed |
| US-6338741-B1 | 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES, OXIDATION HAIR DYES, STRONG COLORATION IN SHADES RANGING FROM RED TO BLUE | L'OREAL (FR) | 2002-01-15 | — | — | US | disclosed |
| US-6099592-A | SPECIFIED 3-SUBSTITUTED 4,5-DIAMINOPYRAZOLES SUCH AS 1-BENZYL-4,5-DIAMINO-3-METHYLPYRAZOLE AS OXIDATION DYE PRECURSORS; USE TO OBTAIN DYE COMPOSITIONS LEADING TO STRONG COLORATIONS, IN SHADES RANGING FROM RED TO BLUE | L'OREAL (FR) | 2000-08-08 | — | — | US | disclosed |
| US-5873910-A | IN FIRST STAGE APPLYING TO KERATIN FIBER A FIRST SOLUTION CONTAINING IN A DYEING MEDIUM A MANGANESE SALT AND/OR COMPLEX, IN SECOND STAGE, APPLYING TO THE HAIR A SOLUTION WHICH CONTAINS 4-SUBSTITUED NAPHTHOL/1-/ AND AN OXIDIZER | L'OREAL (FR) | 1999-02-23 | — | — | US | disclosed |
| US-5769902-A | FREE OF OXIDIZERS OTHER THAN AIR, LESS DESTRUCTIVE TO KERATIN FIBERS | L'OREAL (FR) | 1998-06-23 | — | — | US | disclosed |
| US-5715845-A | APPLYING THIOL REDUCING COMPOSITION TO KERATINOUS MATERIAL WHICH IS IMPREGNATED WITH MANGANESE SALT, AND WHICH IS CONTACTED AFTER REDUCTION PHASE WITH ZEOLITE OR COMPLEXING AGENT CONTAINING ANIONIC OR AMINE FUNCTIONS | L'OREAL (FR) | 1998-02-10 | — | — | US | disclosed |