⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20329005 | 0.83 | HTR2A (0.33) | — | |
| SCHEMBL22487932 | 0.78 | HRH4 (0.35) | — | |
| SCHEMBL22487904 | 0.78 | HRH4 (0.32) | — | |
| SCHEMBL5644866 | 0.76 | CSNK2A1 (0.31) | — | |
| SCHEMBL19033524 | 0.75 | HTR2C (0.30) | — | |
| SCHEMBL2730012 | 0.70 | HAVCR2 (0.36) | — | |
| SCHEMBL21672237 | 0.69 | PDCD1 (0.40) | — | |
| SCHEMBL22487915 | 0.69 | HRH4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL210189 | 0.68 | HAVCR2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL2259171 | 0.68 | HAVCR2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230014651-A1 | BIPHENYL FLUORINE DOUBLE BOND DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF | ABBISKO THERAPEUTICS CO., LTD. (CN) | 2023-01-19 | — | — | US | disclosed |