⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1856289 | 0.91 | GABRP (0.33) | — | |
| SCHEMBL1858295 | 0.83 | CHRM2 (0.32) | — | |
| SCHEMBL3467603 | 0.79 | — | — | |
| SCHEMBL1859462 | 0.66 | GABRP (0.32) | — | |
| SCHEMBL4007172 | 0.65 | FFAR1 (0.30) | — | |
| SCHEMBL4009255 | 0.62 | MMP2 (0.31) | — | |
| SCHEMBL3466978 | 0.61 | FFAR1 (0.31) | — | |
| SCHEMBL1864813 | 0.61 | — | — | |
| SCHEMBL4014566 | 0.58 | — | — | |
| SCHEMBL28847040 | 0.58 | RARB (0.47) | — |
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-20110105544-A1 | CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2011-05-05 | — | — | US | disclosed |