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 SCHEMBL8419046 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10925045 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8419044 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10925048 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10920871 | 1.00 | — | — | |
| Bromide SCHEMBL10925139 | 0.98 | — | — | |
| Bromide SCHEMBL10925134 | 0.98 | — | — | |
| Bromide SCHEMBL10925150 | 0.98 | — | — | |
| Bromide SCHEMBL10925147 | 0.98 | — | — | |
| Bromide SCHEMBL10920161 | 0.79 | RARB (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0802181-B1 | Retinoids | HOFFMANN LA ROCHE (CH) | 1999-12-22 | — | — | EP | disclosed |
| US-5990329-A | Retinoids | HOFFMAN-LA ROCHE INC. (US) | 1999-11-23 | — | — | US | disclosed |
| EP-0802181-A1 | Retinoids | F. HOFFMANN-LA ROCHE AG (CH) | 1997-10-22 | — | — | EP | disclosed |
| US-4544770-A | OF UNSATURATED PHOSPHONIUM COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1985-10-01 | — | — | US | disclosed |