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 | |
|---|---|---|---|---|
| SCHEMBL27259201 | 0.96 | — | — | |
| Water SCHEMBL28192066 | 0.94 | — | — | |
| Phosphine SCHEMBL27647373 | 0.94 | — | — | |
| SCHEMBL28246783 | 0.94 | — | — | |
| Phosphine SCHEMBL27686828 | 0.93 | — | — | |
| Hexane SCHEMBL27866360 | 0.89 | — | — | |
| SCHEMBL28319562 | 0.89 | — | — | |
| Heptane SCHEMBL28068180 | 0.88 | — | — | |
| SCHEMBL27668234 | 0.86 | — | — | |
| Isopropyl Alcohol SCHEMBL27336639 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104591979-B | A kind of compound, catalyst solid constituent containing described compound and catalyst | 中国石油化工股份有限公司 | 2016-09-21 | — | — | CN | disclosed |