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 SCHEMBL17747504 | 0.84 | — | — | |
| SCHEMBL2802113 | 0.84 | — | — | |
| SCHEMBL9143593 | 0.82 | — | — | |
| SCHEMBL9145447 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL17747507 | 0.80 | — | — | |
| Carbon Monoxide SCHEMBL11240637 | 0.76 | — | — | |
| SCHEMBL4651491 | 0.69 | — | — | |
| SCHEMBL9141985 | 0.67 | — | — | |
| SCHEMBL9145387 | 0.67 | — | — | |
| SCHEMBL4653755 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002020629-A2 | CATALYST SYSTEM FOR POLYMERISING DIENES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-14 | — | — | WO | disclosed |