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 SCHEMBL8595693 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL7634975 | 0.62 | — | — | |
| SCHEMBL2962897 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL30444869 | 0.51 | — | — | |
| Triphenylene SCHEMBL31018798 | 0.42 | HPRT1 (0.53) | — | |
| SCHEMBL31731083 | 0.42 | ALDH1A1 (0.64) | — | |
| SCHEMBL31290737 | 0.42 | ALDH1A1 (0.64) | — | |
| Naphthalene SCHEMBL30367955 | 0.42 | CYP2A6 (0.89) | — | |
| Benzene SCHEMBL9651746 | 0.38 | TSHR (0.43) | — | |
| Benzene SCHEMBL11801088 | 0.38 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0810231-B1 | Process for hydrogenation of conjugated diene polymers and catalyst compositions suitable for use therein | SHELL INT RESEARCH (NL) | 2000-01-19 | — | — | EP | disclosed |