⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17562016 | 0.70 | — | — | |
| SCHEMBL16229866 | 0.69 | RAC1 (0.39) | — | |
| SCHEMBL27820153 | 0.57 | CHRM4 (0.37) | — | |
| SCHEMBL17544472 | 0.57 | MALT1 (0.57) | — | |
| SCHEMBL27820150 | 0.56 | HRH3 (0.35) | — | |
| SCHEMBL27839685 | 0.55 | MALT1 (0.41) | — | |
| SCHEMBL1519145 | 0.55 | TLR8 (0.42) | — | |
| SCHEMBL28937980 | 0.55 | CRHR1 (0.42) | — | |
| SCHEMBL3451280 | 0.55 | CTSK (0.58) | — | |
| SCHEMBL29607425 | 0.55 | CRHR1 (0.42) | — |
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 |