⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14685926 | 0.90 | — | — | |
| SCHEMBL2316537 | 0.83 | CYP2D6 (0.33) | — | |
| SCHEMBL7340236 | 0.80 | — | — | |
| SCHEMBL2033847 | 0.79 | — | — | |
| SCHEMBL3387457 | 0.78 | — | — | |
| SCHEMBL22089975 | 0.76 | — | — | |
| SCHEMBL31477810 | 0.73 | — | — | |
| SCHEMBL10793387 | 0.72 | POLA1 (0.30) | — | |
| SCHEMBL6526228 | 0.72 | MEN1 (0.36) | — | |
| SCHEMBL20377245 | 0.70 | ALDH1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007050673-A2 | CYCLIN DEPENDENT KINASE INHIBITORS | UNIVERSITY OF FLORIDA (US) | 2007-05-03 | — | — | WO | claimed |
| WO-2021263079-A1 | TREX1 INHIBITORS AND USES THEREOF | TEMPEST THERAPEUTICS, INC. (US) | 2021-12-30 | — | — | WO | disclosed |
| US-20130029980-A1 | FLAVIN DERIVATIVES | COISH PHILIP D G (US) | 2013-01-31 | — | — | US | disclosed |