⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13064334 | 0.71 | — | — | |
| SCHEMBL22169538 | 0.62 | — | — | |
| SCHEMBL20085187 | 0.62 | P2RX7 (0.40) | — | |
| SCHEMBL15235848 | 0.58 | — | — | |
| SCHEMBL20454598 | 0.56 | — | — | |
| SCHEMBL863210 | 0.56 | — | — | |
| SCHEMBL19935531 | 0.55 | — | — | |
| SCHEMBL1119921 | 0.53 | INMT (0.30) | — | |
| SCHEMBL13499038 | 0.53 | — | — | |
| SCHEMBL1999922 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3152216-B1 | BICYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2019-07-24 | — | — | EP | disclosed |
| EP-2863915-B1 | SUBSTITUTED DIAZINE AND TRIAZINE SPLEEN TYROSINE KINASE (Syk) INHIBITORS | MERCK SHARP & DOHME (US) | 2017-12-06 | — | — | EP | disclosed |