⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9385093 | 0.72 | PDE4B (0.31) | — | |
| SCHEMBL3111399 | 0.55 | — | — | |
| SCHEMBL5234964 | 0.55 | KMT2A (0.37) | — | |
| SCHEMBL1189048 | 0.55 | PDE4B (0.30) | — | |
| SCHEMBL31044813 | 0.54 | SELE (0.58) | — | |
| SCHEMBL20668056 | 0.54 | SELE (0.39) | — | |
| SCHEMBL31044972 | 0.54 | SELE (0.39) | — | |
| SCHEMBL21477549 | 0.54 | — | — | |
| SCHEMBL20668034 | 0.53 | SELE (0.38) | — | |
| SCHEMBL21477571 | 0.53 | — | — |
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-2585470-B1 | NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY | HANMI SCIENCE CO LTD (KR) | 2017-01-25 | — | — | EP | disclosed |