⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22724570 | 0.85 | HTR2C (0.35) | — | |
| Hydrochloric Acid SCHEMBL22720410 | 0.73 | TP53 (0.40) | — | |
| SCHEMBL22720312 | 0.68 | HTR2C (0.46) | — | |
| SCHEMBL22724670 | 0.68 | HTR2B (0.38) | — | |
| SCHEMBL22724669 | 0.68 | HRH3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL22720315 | 0.67 | HTR2C (0.45) | — | |
| SCHEMBL22724565 | 0.61 | FPR2 (0.43) | — | |
| SCHEMBL232823 | 0.57 | — | — | |
| SCHEMBL24446066 | 0.56 | MEN1 (0.44) | — | |
| SCHEMBL8735465 | 0.55 | — | — |
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-2023045960-A1 | PYRIDINE DERIVATIVE AND USE THEREOF | 四川汇宇制药股份有限公司 | 2023-03-30 | — | — | WO | disclosed |