⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL675740 | 0.83 | — | — | |
| SCHEMBL14049633 | 0.75 | TRPV1 (0.32) | — | |
| SCHEMBL7646987 | 0.75 | — | — | |
| SCHEMBL22432549 | 0.75 | — | — | |
| SCHEMBL24022726 | 0.72 | — | — | |
| SCHEMBL28999174 | 0.72 | — | — | |
| SCHEMBL28999141 | 0.72 | TRPV1 (0.31) | — | |
| SCHEMBL24354809 | 0.72 | METAP1 (0.34) | — | |
| SCHEMBL28999310 | 0.72 | TRPV1 (0.31) | — | |
| SCHEMBL20076984 | 0.71 | — | — |
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-3013798-B1 | FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS | BEIGENE LTD (KY) | 2018-06-27 | — | — | EP | disclosed |