⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL689799 | 0.64 | NOTUM (0.39) | — | |
| SCHEMBL1557004 | 0.62 | CHRNB2 (0.48) | — | |
| SCHEMBL3475475 | 0.55 | KDM4E (0.36) | — | |
| SCHEMBL12906161 | 0.51 | NOTUM (0.59) | — | |
| SCHEMBL4743084 | 0.49 | NOTUM (0.50) | — | |
| SCHEMBL17694561 | 0.45 | NOTUM (0.78) | — | |
| SCHEMBL21795694 | 0.45 | NOTUM (0.75) | — | |
| SCHEMBL24221051 | 0.44 | — | — | |
| SCHEMBL22750752 | 0.44 | — | — | |
| SCHEMBL22557718 | 0.44 | — | — |
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-7754708-B2 | N-aryl azaspiroalkene and azaspiroalkane compounds and methods of preparation and use thereof | TARGACEPT, INC. (US) | 2010-07-13 | — | — | US | disclosed |
| US-20080242689-A1 | Analgesics, central nervous system disorders, obesity, side effect reduction | BHATTI BALWINDER | 2008-10-02 | — | — | US | disclosed |