⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12461693 | 0.76 | — | — | |
| SCHEMBL25165740 | 0.73 | — | — | |
| SCHEMBL18809838 | 0.69 | TDP1 (0.41) | — | |
| SCHEMBL8531840 | 0.64 | — | — | |
| SCHEMBL12501343 | 0.64 | — | — | |
| SCHEMBL18774095 | 0.61 | — | — | |
| SCHEMBL15160639 | 0.60 | — | — | |
| SCHEMBL5805253 | 0.59 | — | — | |
| SCHEMBL21680244 | 0.59 | — | — | |
| SCHEMBL14433723 | 0.59 | — | — |
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-2009140205-A2 | THERAPEUTIC SUBSTITUTED CYCLOPENTANES | ALLERGAN, INC. (US) | 2009-11-19 | — | — | WO | disclosed |