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 | |
|---|---|---|---|---|
| SCHEMBL8156860 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL8507141 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8531268 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8534614 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8158200 | 0.65 | — | — | |
| SCHEMBL7469802 | 0.59 | — | — | |
| SCHEMBL8151779 | 0.58 | — | — | |
| SCHEMBL3937216 | 0.45 | — | — | |
| Hexamethylbenzene SCHEMBL3999658 | 0.45 | — | — | |
| Hexamethylbenzene SCHEMBL3999981 | 0.45 | — | — |
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 4 patents. 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 | claimed |
| US-5886107-A | USING TITANIUM CATALYST, ALKALI METAL HYDRIDE | SHELL OIL COMPANY (US) | 1999-03-23 | — | — | US | claimed |
| EP-0810231-A1 | Process for hydrogenation of conjugated diene polymers and catalyst compositions suitable for use therein | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1997-12-03 | — | — | EP | claimed |
| 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 |