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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5218249 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL4804736 | 0.77 | — | — | |
| SCHEMBL5196560 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL4799383 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4802401 | 0.74 | — | — | |
| SCHEMBL5198322 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL4807994 | 0.74 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL4809867 | 0.71 | — | — | |
| SCHEMBL5197623 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL5225697 | 0.68 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7399320-B2 | Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds | L'OREAL (FR) | 2008-07-15 | — | — | US | claimed |
| US-20080092307-A1 | Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds | L'OREAL (FR) | 2008-04-24 | — | — | US | claimed |
| EP-1548006-B1 | Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis | OREAL (FR) | 2007-09-05 | — | — | EP | claimed |
| WO-2007071688-A1 | COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, A PARTICULAR OXIDATION BASE AND A COUPLER | L'ORÉAL (FR) | 2007-06-28 | — | — | WO | claimed |
| WO-2007071685-A1 | COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND ANOTHER PARTICULAR DIRECT DYE | L'ORÉAL (FR) | 2007-06-28 | — | — | WO | claimed |
| WO-2007071683-A1 | COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND A NONIONIC SURFACTANT | L'ORÉAL (FR) | 2007-06-28 | — | — | WO | claimed |
| WO-2007071689-A1 | COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND ANOTHER PARTICULAR DIRECT DYE | L'ORÉAL (FR) | 2007-06-28 | — | — | WO | claimed |
| WO-2007071684-A2 | COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND AN AMINO SILICONE | L'ORÉAL (FR) | 2007-06-28 | — | — | WO | claimed |
| WO-2007071686-A1 | COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER | L'ORÉAL (FR) | 2007-06-28 | — | — | WO | claimed |
| US-20050198744-A1 | Applying 2-[5-(N-methyl-2-pyridinylidene)-1-formazano]-N-methylpyridinium chloride and an oxidizing agent, developing the desired coloration | L'OREAL S.A. (FR) | 2005-09-15 | — | — | US | claimed |
| US-20050028300-A1 | Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetraazapentamethine compounds | L'OREAL (FR) | 2005-02-10 | — | — | US | claimed |
| US-7399320-B2 | Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds | L'OREAL (FR) | 2008-07-15 | — | — | US | disclosed |
| US-20080092307-A1 | Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds | L'OREAL (FR) | 2008-04-24 | — | — | US | disclosed |
| US-7311736-B2 | Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetra-azapentamethine compounds | L'OREAL (FR) | 2007-12-25 | — | — | US | disclosed |
| US-7288120-B2 | Synthesis of tetraazapentamethine compounds, and processes for dyeing keratin fibers using this synthesis | L'OREAL S.A. (FR) | 2007-10-30 | — | — | US | disclosed |
| WO-2007071688-A1 | COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, A PARTICULAR OXIDATION BASE AND A COUPLER | L'ORÉAL (FR) | 2007-06-28 | — | — | WO | disclosed |
| WO-2007071685-A1 | COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND ANOTHER PARTICULAR DIRECT DYE | L'ORÉAL (FR) | 2007-06-28 | — | — | WO | disclosed |
| WO-2007071683-A1 | COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND A NONIONIC SURFACTANT | L'ORÉAL (FR) | 2007-06-28 | — | — | WO | disclosed |
| US-20050198744-A1 | Applying 2-[5-(N-methyl-2-pyridinylidene)-1-formazano]-N-methylpyridinium chloride and an oxidizing agent, developing the desired coloration | L'OREAL S.A. (FR) | 2005-09-15 | — | — | US | disclosed |
| US-20050028300-A1 | Use of tetra-azapentamethine compounds as direct dyeing agents and novel tetraazapentamethine compounds | L'OREAL (FR) | 2005-02-10 | — | — | US | disclosed |