⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11586874 | 0.72 | XPO1 (0.36) | — | |
| SCHEMBL181251 | 0.70 | — | — | |
| SCHEMBL23811171 | 0.69 | XPO1 (0.32) | — | |
| SCHEMBL9589304 | 0.68 | — | — | |
| SCHEMBL19414423 | 0.68 | — | — | |
| SCHEMBL19157252 | 0.68 | — | — | |
| SCHEMBL11512900 | 0.68 | GSK3A (0.39) | — | |
| SCHEMBL11805906 | 0.67 | XPO1 (0.33) | — | |
| SCHEMBL4395914 | 0.67 | MGLL (0.33) | — | |
| SCHEMBL11375720 | 0.67 | GSK3A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9663524-B2 | Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors | CELGENE CAR LLC (BM) | 2017-05-30 | — | — | US | disclosed |