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 | |
|---|---|---|---|---|
| SCHEMBL8157600 | 0.77 | — | — | |
| SCHEMBL6988033 | 0.69 | — | — | |
| SCHEMBL7611370 | 0.61 | — | — | |
| Butane SCHEMBL10941992 | 0.60 | — | — | |
| Propanol SCHEMBL4327260 | 0.56 | — | — | |
| Propylamine SCHEMBL29165421 | 0.56 | — | — | |
| Hexane SCHEMBL7755378 | 0.56 | SPHK2 (0.63) | — | |
| Hexane SCHEMBL27342421 | 0.56 | SPHK2 (0.63) | — | |
| Hydrochloric Acid SCHEMBL9171586 | 0.55 | — | — | |
| Guanidine SCHEMBL28137273 | 0.55 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0792267-A1 | 2- (2-ALKOXY-6-TRIFLUOROMETHYL PYRIMIDINE-4-YL)-OXYMETHYLENE]-PHENYL-ACETIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 1997-09-03 | — | — | EP | disclosed |
| WO-1996016047-A1 | 2-[(2-ALKOXY-6-TRIFLUOROMETHYL PYRIMIDINE-4-YL)-OXYMETHYLENE]-PHENYL-ACETIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 1996-05-30 | — | — | WO | disclosed |