⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22420080 | 0.98 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL20987843 | 0.98 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL21720486 | 0.97 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL18867100 | 0.92 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL18948710 | 0.84 | CNR2 (0.36) | — | |
| SCHEMBL23454203 | 0.81 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL22545662 | 0.81 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL22545678 | 0.81 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL25913921 | 0.81 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL19363808 | 0.80 | — | — |
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-10596172-B2 | 2,4-disubstituted pyrimidines useful as kinase inhibitors | CELGENE CAR LLC (BM) | 2020-03-24 | — | — | US | disclosed |
| US-20190192512-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2019-06-27 | — | — | US | disclosed |