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 | |
|---|---|---|---|---|
| SCHEMBL12703368 | 0.58 | — | — | |
| SCHEMBL11349435 | 0.54 | — | — | |
| SCHEMBL8619911 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL27514379 | 0.50 | — | — | |
| SCHEMBL8596328 | 0.49 | — | — | |
| SCHEMBL6444604 | 0.49 | — | — | |
| SCHEMBL2791127 | 0.45 | — | — | |
| SCHEMBL28852321 | 0.41 | — | — | |
| P-Xylene SCHEMBL9834761 | 0.41 | — | — | |
| SCHEMBL1900993 | 0.41 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103012623-B | Metalloscene catalyst, its synthesis and purposes in olefin polymerization | NOVOLEN TECH HOLDINGS CV (DE) | 2015-09-16 | — | — | CN | disclosed |
| US-7195129-B2 | Inner container for household devices | BASELL POLYOLEFINE GMBH (DE) | 2007-03-27 | — | — | US | disclosed |
| US-20030022009-A1 | Molding materials; using coordination catalysts | EQUISTAR CHEMICALS, LP | 2003-01-30 | — | — | US | disclosed |