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 SCHEMBL8463457 | 0.71 | DAO (0.30) | — | |
| SCHEMBL1791619 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL27459301 | 0.70 | DAO (0.32) | — | |
| SCHEMBL4011812 | 0.70 | DAO (0.32) | — | |
| SCHEMBL1794431 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL19323695 | 0.68 | MAPK14 (0.32) | — | |
| SCHEMBL1924912 | 0.68 | DAO (0.31) | — | |
| SCHEMBL2405178 | 0.67 | DAO (0.30) | — | |
| SCHEMBL2404545 | 0.67 | DAO (0.30) | — | |
| Hydrochloric Acid SCHEMBL9410192 | 0.62 | LMNA (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5756417-A | PHOSPHOLANE RING CONTAINING ORGANOMETALLIC POLYMERIZATION CATALYST TO CATALYZE OLEFINICALLY UNSATURATED HYDROCARBONS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-05-26 | — | — | US | disclosed |
| EP-0717754-B1 | CATALYST COMPOSITIONS | SHELL INT RESEARCH (NL) | 1997-12-03 | — | — | EP | disclosed |
| EP-0717754-A1 | CATALYST COMPOSITIONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1996-06-26 | — | — | EP | disclosed |
| EP-0638593-A1 | Catalyst compositions | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1995-02-15 | — | — | EP | disclosed |
| WO-1995004087-A1 | CATALYST COMPOSITIONS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1995-02-09 | — | — | WO | disclosed |