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 SCHEMBL7131965 | 0.99 | — | — | |
| SCHEMBL2923544 | 0.99 | MEN1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL6167114 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL7126153 | 0.83 | MAPT (0.36) | — | |
| SCHEMBL6167007 | 0.81 | MAPT (0.37) | — | |
| SCHEMBL6935616 | 0.74 | NMT1 (0.47) | — | |
| SCHEMBL1801275 | 0.72 | KDM4E (0.35) | — | |
| SCHEMBL3852453 | 0.72 | SOD1 (0.32) | — | |
| SCHEMBL5154934 | 0.71 | MEN1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL1989198 | 0.71 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1334713-B1 | Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent | OREAL (FR) | 2005-12-07 | — | — | EP | claimed |
| EP-1147090-B1 | NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR DYEING KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS | OREAL (FR) | 2005-11-23 | — | — | EP | claimed |
| US-6905522-B2 | Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler | L'OREAL S.A. (FR) | 2005-06-14 | — | — | US | claimed |
| US-20050097681-A9 | DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER | L'OREAL S.A. (FR) | 2005-05-12 | — | — | US | claimed |
| US-20040045100-A1 | Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler | KRAVTCHENKO SYLVAIN (FR) | 2004-03-11 | — | — | US | claimed |
| US-6905522-B2 | Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler | L'OREAL S.A. (FR) | 2005-06-14 | — | — | US | disclosed |
| US-20050097681-A9 | DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER | L'OREAL S.A. (FR) | 2005-05-12 | — | — | US | disclosed |
| US-20040045100-A1 | Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler | KRAVTCHENKO SYLVAIN (FR) | 2004-03-11 | — | — | US | disclosed |
| US-6660046-B1 | Cationic oxidation bases, their use of dyeing keratin fibres, dyeing compositions and dyeing methods | L'OREAL S.A. (FR) | 2003-12-09 | — | — | US | disclosed |