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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8039639 | 0.94 | — | — | |
| SCHEMBL8039803 | 0.92 | DNM1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL8039701 | 0.92 | DNM1 (0.41) | — | |
| SCHEMBL8039745 | 0.92 | DNM1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL8033381 | 0.89 | DNM1 (0.46) | — | |
| SCHEMBL8035445 | 0.89 | DNM1 (0.33) | — | |
| SCHEMBL8037139 | 0.89 | DNM1 (0.33) | — | |
| Bromide SCHEMBL8033221 | 0.86 | DNM1 (0.41) | — | |
| SCHEMBL8023828 | 0.85 | DNM1 (0.36) | — | |
| SCHEMBL8035467 | 0.83 | DNM1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6022822-A | Organotin compound and catalyst for transesterification comprising the same | RYOJI NOYORI (JP) | 2000-02-08 | — | — | US | disclosed |