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 | |
|---|---|---|---|---|
| SCHEMBL3361754 | 0.97 | — | — | |
| SCHEMBL6536 | 0.97 | — | — | |
| SCHEMBL29389987 | 0.97 | — | — | |
| SCHEMBL7968855 | 0.97 | KDM4E (0.50) | — | |
| SCHEMBL18660494 | 0.97 | — | — | |
| Iodide SCHEMBL7430322 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL4869908 | 0.94 | — | — | |
| Bromide SCHEMBL6626855 | 0.94 | — | — | |
| SCHEMBL1267715 | 0.94 | — | — | |
| SCHEMBL220275 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6927216-B2 | Cyclic sulfonyl compounds as inhibitors of metalloproteases | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-08-09 | — | — | US | disclosed |
| EP-1322627-A1 | CYCLIC SULFONYL COMPOUNDS AS INHIBITORS OF METALLOPROTEASES | Bristol-Myers Squibb Pharma Company (US) | 2003-07-02 | — | — | EP | disclosed |
| US-20020086853-A1 | Cyclic sulfonyl compounds as inhibitors of metalloproteases | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-07-04 | — | — | US | disclosed |
| WO-2002028846-A1 | CYCLIC SULFONYL COMPOUNDS AS INHIBITORS OF METALLOPROTEASES | DUPONT PHARMACEUTICALS COMPANY (US) | 2002-04-11 | — | — | WO | disclosed |