⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2864267 | 0.85 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL534023 | 0.77 | — | — | |
| SCHEMBL882421 | 0.77 | — | — | |
| SCHEMBL37355 | 0.77 | — | — | |
| SCHEMBL29615322 | 0.77 | — | — | |
| SCHEMBL13538910 | 0.76 | — | — | |
| SCHEMBL28558952 | 0.76 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL14195390 | 0.75 | CA1 (0.45) | — | |
| SCHEMBL11142521 | 0.74 | — | — | |
| SCHEMBL6946421 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5668103-A | FRAGRANCE AND WATER IN SOLID MATERIAL | MATESON MARK (US) | 1997-09-16 | — | — | US | disclosed |
| 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 |