⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10407130 | 0.97 | ALDH1A1 (0.61) | — | |
| SCHEMBL540879 | 0.90 | — | — | |
| SCHEMBL10071418 | 0.80 | — | — | |
| SCHEMBL1520914 | 0.80 | — | — | |
| SCHEMBL3287225 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL409239 | 0.79 | — | — | |
| SCHEMBL24279193 | 0.78 | ALDH1A1 (0.54) | — | |
| SCHEMBL8105099 | 0.78 | ALDH1A1 (0.67) | — | |
| SCHEMBL11780727 | 0.78 | ALDH1A1 (0.67) | — | |
| SCHEMBL2623194 | 0.78 | ALDH1A1 (0.54) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0722436-A4 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | UNIV FLORIDA STATE (US) | 1996-11-20 | — | — | EP | disclosed |
| EP-0722436-A1 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1996-07-24 | — | — | EP | disclosed |
| WO-1995009833-A1 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1995-04-13 | — | — | WO | disclosed |
| EP-0276124-B1 | PROSTAGLANDIN DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE | Sankyo Company Limited (JP) | 1992-05-20 | — | — | EP | disclosed |
| US-4981872-A | ANTIULCER | SANKYO COMPANY LIMITED (JP) | 1991-01-01 | — | — | US | disclosed |
| EP-0276124-A2 | Prostaglandin derivatives, their preparation and their therapeutic use | Sankyo Company Limited (JP) | 1988-07-27 | — | — | EP | disclosed |