⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9004553 | 0.80 | STAT3 (0.32) | — | |
| SCHEMBL18431776 | 0.77 | TRPA1 (0.31) | — | |
| SCHEMBL18867018 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL1785746 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL3637792 | 0.74 | STAT3 (0.31) | — | |
| SCHEMBL13039627 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL4391467 | 0.72 | — | — | |
| SCHEMBL11564017 | 0.72 | TDP1 (0.33) | — | |
| SCHEMBL20490036 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL5705354 | 0.70 | ALDH1A1 (0.32) | — |
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-10618902-B2 | Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases | CELGENE CAR LLC (BM) | 2020-04-14 | — | — | US | disclosed |
| US-20190218220-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2019-07-18 | — | — | US | disclosed |