⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12045441 | 0.72 | MAPT (0.37) | — | |
| SCHEMBL17361404 | 0.69 | PIK3CA (0.41) | — | |
| SCHEMBL17410144 | 0.69 | — | — | |
| SCHEMBL91423 | 0.69 | — | — | |
| SCHEMBL6919917 | 0.69 | — | — | |
| SCHEMBL24747025 | 0.69 | — | — | |
| SCHEMBL12026408 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL19700723 | 0.67 | MAPK1 (0.31) | — | |
| SCHEMBL20201220 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL19006110 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230365605-A1 | BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF | WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT | 2023-11-16 | — | — | US | disclosed |
| WO-2020146682-A1 | CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-07-16 | — | — | WO | disclosed |
| WO-2009143317-A1 | TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS | WYETH (US) | 2009-11-26 | — | — | WO | disclosed |
| WO-2009143313-A1 | TRIAZINE COMPOUNDS AS P13 KINASE AND MTOR INHIBITORS | WYETH (US) | 2009-11-26 | — | — | WO | disclosed |