⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12282736 | 0.74 | MME (0.41) | — | |
| SCHEMBL24268024 | 0.68 | ALOX15 (0.36) | — | |
| SCHEMBL21150128 | 0.67 | IDO1 (0.34) | — | |
| SCHEMBL9744392 | 0.66 | P2RX7 (0.40) | — | |
| SCHEMBL19188366 | 0.65 | P2RX7 (0.39) | — | |
| SCHEMBL16949683 | 0.64 | EPHX1 (0.39) | — | |
| SCHEMBL20789206 | 0.64 | IDO1 (0.39) | — | |
| SCHEMBL16949680 | 0.64 | EPHX1 (0.43) | — | |
| SCHEMBL20908042 | 0.63 | IDO1 (0.35) | — | |
| SCHEMBL8607824 | 0.63 | CETP (0.41) | — |
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-20200397760-A1 | METHODS OF USING RAD51 INHIBITORS FOR TREATMENT OF PANCREATIC CANCER | CYTEIR THERAPEUTICS, INC. | 2020-12-24 | — | — | US | disclosed |