⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10207822 | 0.87 | PLA2G4A (0.48) | — | |
| SCHEMBL2736704 | 0.86 | PLA2G4A (0.43) | — | |
| SCHEMBL12309629 | 0.85 | — | — | |
| SCHEMBL10207833 | 0.84 | FGFR1 (0.47) | — | |
| SCHEMBL2737080 | 0.83 | PLA2G4A (0.55) | — | |
| SCHEMBL14176089 | 0.82 | CA1 (0.47) | — | |
| SCHEMBL2737112 | 0.81 | TDP1 (0.47) | — | |
| SCHEMBL10207834 | 0.79 | CA12 (0.47) | — | |
| SCHEMBL2737114 | 0.78 | TDP1 (0.43) | — | |
| SCHEMBL2736995 | 0.77 | RORC (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2402314-A1 | (Aza)indole derivative and use thereof for medical purposes | Kissei Pharmaceutical Co., Ltd. (JP) | 2012-01-04 | — | — | EP | disclosed |