⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3502547 | 0.68 | NFKB1 (0.47) | — | |
| SCHEMBL3478427 | 0.67 | NPC1 (0.45) | — | |
| SCHEMBL3594445 | 0.67 | CDK5 (0.31) | — | |
| SCHEMBL1147539 | 0.62 | — | — | |
| SCHEMBL2500797 | 0.62 | — | — | |
| SCHEMBL1012368 | 0.62 | CYP2D6 (0.42) | — | |
| SCHEMBL1391792 | 0.61 | NFKB1 (0.33) | — | |
| SCHEMBL7698086 | 0.60 | — | — | |
| SCHEMBL746126 | 0.60 | — | — | |
| SCHEMBL20880955 | 0.60 | ALDH1A1 (0.45) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060128742-A1 | Cell migration inhibiting compositions and methods and compositions for treating cancer | AVOLIX PHARMACEUTICALS, INC. | 2006-06-15 | — | — | US | claimed |
| US-7700615-B2 | Cell migration inhibiting compositions and methods and compositions for treating cancer | AVOLIX PHARMACEUTICALS, INC. (US) | 2010-04-20 | — | — | US | disclosed |
| US-20060128742-A1 | Cell migration inhibiting compositions and methods and compositions for treating cancer | AVOLIX PHARMACEUTICALS, INC. | 2006-06-15 | — | — | US | disclosed |
| US-7012100-B1 | Cell migration inhibiting compositions and methods and compositions for treating cancer | AVOLIX PHARMACEUTICALS, INC. (US) | 2006-03-14 | — | — | US | disclosed |