⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6461481 | 0.82 | USP2 (0.41) | — | |
| SCHEMBL8926651 | 0.79 | ALDH1A2 (0.47) | — | |
| SCHEMBL9233843 | 0.78 | — | — | |
| SCHEMBL8925763 | 0.77 | CYP2D6 (0.48) | — | |
| SCHEMBL10951685 | 0.77 | — | — | |
| SCHEMBL25876882 | 0.76 | — | — | |
| SCHEMBL10399529 | 0.76 | EPHX1 (0.53) | — | |
| SCHEMBL10400683 | 0.76 | EPHX1 (0.53) | — | |
| SCHEMBL13282805 | 0.75 | — | — | |
| SCHEMBL6991664 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5663365-A | Process for the preparation of pyrazolones | JAPAN HYDRAZINE CO., LTD. (JP) | 1997-09-02 | — | — | US | disclosed |
| US-4935527-A | SEPARATION FROM IMPURITIES BY ION EXCHANGING ON A CATIONIC EXCHANGER BED | RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) | 1990-06-19 | — | — | US | disclosed |
| EP-0191462-A1 | Purification of aziridine-2-carboxylic acid salts | RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) | 1986-08-20 | — | — | EP | disclosed |