⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6966259 | 0.78 | — | — | |
| SCHEMBL6231532 | 0.73 | — | — | |
| SCHEMBL14877200 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9316040 | 0.71 | — | — | |
| SCHEMBL27839789 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL205741 | 0.67 | — | — | |
| SCHEMBL6971661 | 0.67 | — | — | |
| SCHEMBL209835 | 0.67 | — | — | |
| SCHEMBL18763355 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL6967977 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-6376548-B1 | FUNGICIDES; HERBICIDES; INSECTICIDES | ROHM AND HAAS COMPANY | 2002-04-23 | — | — | US | disclosed |
| WO-2001056358-A2 | ENHANCED PROPERTIED PESTICIDES | ROHM AND HAAS COMPANY (US) | 2001-08-09 | — | — | WO | disclosed |