⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17624330 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL27305612 | 0.84 | CYP3A4 (0.37) | — | |
| SCHEMBL17624099 | 0.81 | OPRM1 (0.35) | — | |
| SCHEMBL22182595 | 0.81 | HIF1A (0.36) | — | |
| SCHEMBL27306428 | 0.81 | CYP3A4 (0.35) | — | |
| SCHEMBL25792495 | 0.79 | — | — | |
| SCHEMBL25094062 | 0.78 | CRHBP (0.31) | — | |
| SCHEMBL19498552 | 0.74 | CYP3A4 (0.33) | — | |
| SCHEMBL17611220 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL18702127 | 0.72 | EPHX2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230203007-A1 | PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS | X-CHEM GLOBAL HQ | 2023-06-29 | — | — | US | disclosed |
| US-20170305922-A1 | CARM1 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2017-10-26 | — | — | US | disclosed |