⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20733760 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL20733752 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL23511576 | 0.76 | — | — | |
| SCHEMBL18965405 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL23511394 | 0.74 | — | — | |
| SCHEMBL17725990 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL23511329 | 0.72 | PTPN1 (0.30) | — | |
| SCHEMBL22428525 | 0.71 | NOTUM (0.38) | — | |
| SCHEMBL23511334 | 0.71 | — | — | |
| SCHEMBL23511554 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017043645-A1 | CYCLIC AZINE COMPOUND, AND PRODUCTION METHOD, PRODUCTION INTERMEDIATE, AND USE THEREOF | 東ソー株式会社 | 2017-03-16 | — | — | WO | disclosed |