⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12313059 | 0.87 | — | — | |
| SCHEMBL15948552 | 0.81 | CYP19A1 (0.30) | — | |
| SCHEMBL2093871 | 0.74 | — | — | |
| SCHEMBL11932183 | 0.72 | — | — | |
| SCHEMBL17987715 | 0.69 | — | — | |
| SCHEMBL17987694 | 0.68 | — | — | |
| SCHEMBL19069203 | 0.62 | — | — | |
| SCHEMBL2095447 | 0.62 | — | — | |
| SCHEMBL17987717 | 0.62 | ERBB2 (0.30) | — | |
| SCHEMBL18469703 | 0.61 | — | — |
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-9695132-B2 | Heteroaryl compounds and uses thereof | CELGENE CAR LLC (BM) | 2017-07-04 | — | — | US | disclosed |
| US-20160221966-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2016-08-04 | — | — | US | disclosed |