⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1755406 | 0.74 | — | — | |
| SCHEMBL16229867 | 0.67 | KDM4E (0.43) | — | |
| SCHEMBL24772860 | 0.65 | — | — | |
| SCHEMBL19549042 | 0.63 | RAB9A (0.45) | — | |
| SCHEMBL24385276 | 0.63 | — | — | |
| SCHEMBL23838379 | 0.60 | KDM4E (0.49) | — | |
| SCHEMBL24714237 | 0.60 | KDM4E (0.32) | — | |
| SCHEMBL24268934 | 0.59 | — | — | |
| SCHEMBL14781275 | 0.58 | GRIN2D (0.38) | — | |
| SCHEMBL15149266 | 0.57 | ALDH1A1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9278956-B1 | Small-molecule inhibitors of Rac1 in metastatic cancer cells | UNIVERSITY OF PUERTO RICO (US) | 2016-03-08 | — | — | US | disclosed |