Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. 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 | |
|---|---|---|---|---|
| SCHEMBL839103 | 0.71 | ALOX15 (0.30) | — | |
| Sulfuric Acid SCHEMBL1457606 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL7252277 | 0.59 | KDM4E (0.38) | — | |
| SCHEMBL2029367 | 0.59 | — | — | |
| SCHEMBL23635739 | 0.57 | MAPT (0.33) | — | |
| SCHEMBL4394601 | 0.56 | ALDH1A1 (0.31) | — | |
| SCHEMBL5159873 | 0.56 | KDM4E (0.50) | — | |
| SCHEMBL2601901 | 0.56 | ALDH1A1 (0.37) | — | |
| SCHEMBL23635695 | 0.55 | ATAD2 (0.38) | — | |
| SCHEMBL3816648 | 0.55 | ALDH1A1 (0.41) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534227-B1 | AGENTS USED FOR DYEING KERATINOUS FIBERS | HENKEL KGAA (DE) | 2006-12-27 | — | — | EP | claimed |
| US-7105032-B2 | Agents used for dyeing keratinous fibers | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2006-09-12 | — | — | US | claimed |
| US-20050144740-A1 | Agents used for dyeing keratinous fibers | HENKEL AG & CO. KGAA (DE) | 2005-07-07 | — | — | US | claimed |
| EP-2044977-B1 | Hair dye with oxidative pre-treatment | HENKEL AG & CO KGAA (DE) | 2018-02-14 | — | — | EP | disclosed |
| EP-2673267-B1 | 1,3-DIOXAN-5-ONE COMPOUNDS | MERCK PATENT GMBH (DE) | 2015-06-03 | — | — | EP | disclosed |
| EP-1944010-B1 | Brightening and/or colouring agent with acrylic acid derivative(s) | HENKEL AG & CO KGAA (DE) | 2015-03-11 | — | — | EP | disclosed |
| US-8907110-B2 | Benzodioxepin-3-one compounds as dyes or as fluorescent emitters | MERCK PATENT GMBH (DE) | 2014-12-09 | — | — | US | disclosed |
| US-20140234238-A1 | BENZODIOXEPIN-3-ONE COMPOUNDS AS DYES OR AS FLUORESCENT EMITTERS | MERCK PATENT GMBH (DE) | 2014-08-21 | — | — | US | disclosed |
| US-8702813-B2 | Use of ascorbic acid derivatives for dyeing keratin-containing fibres | MERCK PATENT GMBH (DE) | 2014-04-22 | — | — | US | disclosed |
| US-20130309184-A1 | 1,3-DIOXAN-5-ONE COMPOUNDS | MERCK PATENT GMBH (DE) | 2013-11-21 | — | — | US | disclosed |
| US-20130228192-A1 | USE OF ASCORBIC ACID DERIVATIVES FOR DYEING KERATIN-CONTAINING FIBRES | MERCK PATENT GMBH (DE) | 2013-09-05 | — | — | US | disclosed |
| EP-2044977-A2 | Hair dye with oxidative pre-treatment | Henkel AG & Co. KGaA (DE) | 2009-04-08 | — | — | EP | disclosed |
| EP-1972323-A2 | Hair colorant | Henkel AG & Co. KGaA (DE) | 2008-09-24 | — | — | EP | disclosed |
| EP-1944010-A2 | Brightening and/or colouring agent with acrylic acid derivative(s) | Henkel AG & Co. KGaA (DE) | 2008-07-16 | — | — | EP | disclosed |
| EP-1758546-B1 | USE OF SPECIAL POLYOLS FOR INHIBITING THE CRYSTALLIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES | HENKEL KGAA (DE) | 2007-09-05 | — | — | EP | disclosed |
| EP-1800655-A1 | Use of a combination of oniumaldehydes and imidazolylalkyl-substituted p-phenylenediamine derivatives | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-06-27 | — | — | EP | disclosed |
| EP-1534227-B1 | AGENTS USED FOR DYEING KERATINOUS FIBERS | HENKEL KGAA (DE) | 2006-12-27 | — | — | EP | disclosed |
| US-7105032-B2 | Agents used for dyeing keratinous fibers | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2006-09-12 | — | — | US | disclosed |
| US-20050144740-A1 | Agents used for dyeing keratinous fibers | HENKEL AG & CO. KGAA (DE) | 2005-07-07 | — | — | US | disclosed |
| EP-1433468-A1 | N-Methyl quinolinium imines used for dyeing keratin containing fibres | Henkel Kommanditgesellschaft auf Aktien (DE) | 2004-06-30 | — | — | EP | disclosed |