⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20217515 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL20217514 | 0.80 | — | — | |
| SCHEMBL20217423 | 0.80 | KDM4E (0.40) | — | |
| SCHEMBL20217956 | 0.74 | CYP3A4 (0.48) | — | |
| SCHEMBL20217662 | 0.67 | CYP3A4 (0.47) | — | |
| SCHEMBL20217553 | 0.66 | CYP3A4 (0.41) | — | |
| SCHEMBL20217636 | 0.65 | NAMPT (0.39) | — | |
| SCHEMBL20217341 | 0.64 | CYP3A4 (0.40) | — | |
| SCHEMBL20217587 | 0.63 | CYP3A4 (0.37) | — | |
| SCHEMBL20217804 | 0.62 | RAB9A (0.43) | — |
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 |