⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15166104 | 1.00 | — | — | |
| SCHEMBL18184622 | 0.84 | — | — | |
| SCHEMBL895728 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL24267493 | 0.74 | BRD4 (0.32) | — | |
| SCHEMBL12835518 | 0.72 | — | — | |
| SCHEMBL29335766 | 0.71 | — | — | |
| SCHEMBL18938890 | 0.68 | — | — | |
| SCHEMBL12952624 | 0.67 | CDK8 (0.32) | — | |
| SCHEMBL19151346 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL22729976 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2804861-B1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS SYK INHIBITORS | GENOSCO (US) | 2018-02-28 | — | — | EP | disclosed |