⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31556324 | 0.79 | CYP3A4 (0.44) | — | |
| SCHEMBL24017064 | 0.79 | IDO1 (0.45) | — | |
| SCHEMBL7822870 | 0.79 | — | — | |
| SCHEMBL24017145 | 0.79 | IDO1 (0.45) | — | |
| SCHEMBL5104539 | 0.79 | ALOX5 (0.42) | — | |
| SCHEMBL142218 | 0.75 | — | — | |
| SCHEMBL1300584 | 0.75 | — | — | |
| SCHEMBL15854170 | 0.75 | — | — | |
| SCHEMBL5101400 | 0.75 | — | — | |
| SCHEMBL9325464 | 0.75 | — | — |
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-2766352-B1 | INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME | UNIV HEALTH NETWORK UHN (CA) | 2018-06-06 | — | — | EP | disclosed |