⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23961080 | 0.93 | MEN1 (0.41) | — | |
| SCHEMBL21152899 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL21153006 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL23137828 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL24174828 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL21614789 | 0.71 | BRD2 (0.36) | — | |
| SCHEMBL24174162 | 0.69 | HTT (0.33) | — | |
| SCHEMBL24174316 | 0.68 | MEN1 (0.31) | — | |
| SCHEMBL22102451 | 0.68 | HTR2A (0.31) | — | |
| SCHEMBL13075463 | 0.68 | THRB (0.35) | — |
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-20230218597-A1 | SUBSTITUTED PYRIDINES AND METHODS OF USE | THERAVANCE BIOPHARMA R&D IP LLC (US) | 2023-07-13 | — | — | US | disclosed |
| WO-2019136025-A1 | ASK1 INHIBITOR COMPOUNDS AND USES THEREOF | Seal Rock Therapeutics, Inc. (US) | 2019-07-11 | — | — | WO | disclosed |