⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8180583 | 0.77 | DAO (0.41) | — | |
| SCHEMBL10211522 | 0.74 | MGMT (0.38) | — | |
| SCHEMBL14049756 | 0.74 | DAO (0.31) | — | |
| SCHEMBL18092252 | 0.72 | PTGS1 (0.39) | — | |
| SCHEMBL12123809 | 0.70 | DAO (0.33) | — | |
| SCHEMBL8225536 | 0.64 | ALDH1A1 (0.36) | — | |
| SCHEMBL18949082 | 0.64 | CDC7 (0.34) | — | |
| SCHEMBL10159800 | 0.62 | GABRA1 (0.33) | — | |
| SCHEMBL8220296 | 0.62 | MAPT (0.43) | — | |
| SCHEMBL13125587 | 0.62 | MAPT (0.67) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9765065-B2 | Therapeutic substituted cyclopentanes | ALLERGAN, INC. (US) | 2017-09-19 | — | — | US | disclosed |
| US-20170144999-A1 | THERAPEUTIC SUBSTITUTED CYCLOPENTANES | ALLERGAN, INC. | 2017-05-25 | — | — | US | disclosed |