⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8211133 | 0.79 | KDM4E (0.32) | — | |
| SCHEMBL8837390 | 0.79 | KDM4E (0.32) | — | |
| SCHEMBL8837367 | 0.71 | GRIK1 (0.36) | — | |
| SCHEMBL129336 | 0.70 | — | — | |
| SCHEMBL293116 | 0.69 | — | — | |
| SCHEMBL11841915 | 0.69 | CA2 (0.48) | — | |
| SCHEMBL11382181 | 0.67 | — | — | |
| SCHEMBL128865 | 0.67 | — | — | |
| SCHEMBL17441494 | 0.65 | GRIK1 (0.37) | — | |
| SCHEMBL5812829 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0621270-B1 | Piperazine derivatives as collagenase inhibitors | SANKYO CO (JP) | 2000-04-12 | — | — | EP | disclosed |
| US-5643908-A | ANGIOGENESIS INHIBITOR, ANTITUMOR | SANKYO COMPANY, LIMITED (JP) | 1997-07-01 | — | — | US | disclosed |
| EP-0621270-A1 | COLLAGENASE INHIBITOR | SANKYO COMPANY LIMITED (JP) | 1994-10-26 | — | — | EP | disclosed |