⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5957572 | 0.58 | — | — | |
| SCHEMBL14408036 | 0.56 | BRD4 (0.33) | — | |
| SCHEMBL8753089 | 0.56 | PRSS1 (0.31) | — | |
| SCHEMBL13121572 | 0.55 | — | — | |
| SCHEMBL18760249 | 0.55 | — | — | |
| SCHEMBL7316001 | 0.55 | HTT (0.40) | — | |
| SCHEMBL7307802 | 0.55 | HTT (0.40) | — | |
| SCHEMBL18629850 | 0.54 | — | — | |
| SCHEMBL299523 | 0.54 | ALDH1A1 (0.42) | — | |
| SCHEMBL265958 | 0.54 | MEN1 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0818443-B1 | Mercaptoketones and mercaptoalcohols, a process for their preparation and their use as inhibitors of matrix metalloproteinases | AMERICAN CYANAMID CO (US) | 2001-12-05 | — | — | EP | disclosed |
| US-6160132-A | Mercaptoketones and mercaptoalcohols and a process for their preparation | AMERICAN CYANAMID COMPANY (US) | 2000-12-12 | — | — | US | disclosed |
| US-6124502-A | Mercaptoketones and mercaptoalcohols and a process for their preparation | AMERICAN CYANAMID COMPANY (US) | 2000-09-26 | — | — | US | disclosed |
| US-5852213-A | Mercaptoketones and mercaptoalcohols and a process for their preparation | AMERICAN CYANAMID COMPANY (US) | 1998-12-22 | — | — | US | disclosed |
| EP-0818443-A2 | Mercaptoketones and mercaptoalcohols, a process for their preparation and their use as inhibitors of matrix metalloproteinases | American Cyanamid Company (US) | 1998-01-14 | — | — | EP | disclosed |