⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15306565 | 0.77 | CYP11B1 (0.33) | — | |
| SCHEMBL22624138 | 0.77 | HMGCR (0.31) | — | |
| SCHEMBL19726994 | 0.75 | CDK2 (0.36) | — | |
| SCHEMBL19726945 | 0.72 | CYP11B2 (0.33) | — | |
| SCHEMBL4269575 | 0.70 | CKS1B (0.40) | — | |
| SCHEMBL19068905 | 0.69 | CYP1A2 (0.35) | — | |
| SCHEMBL16643964 | 0.68 | CYP11B1 (0.40) | — | |
| SCHEMBL7158580 | 0.67 | CYP19A1 (0.36) | — | |
| SCHEMBL18708723 | 0.67 | CYP11B1 (0.35) | — | |
| SCHEMBL15306564 | 0.66 | CYP11B1 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230364097-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | INFINITY PHARMACEUTICALS, INC. (US) | 2023-11-16 | — | — | US | disclosed |
| US-20170360795-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | INFINITY PHARMACEUTICALS, INC. (US) | 2017-12-21 | — | — | US | disclosed |