⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10668093 | 0.71 | — | — | |
| SCHEMBL29086003 | 0.69 | — | — | |
| SCHEMBL9849006 | 0.69 | — | — | |
| SCHEMBL6963759 | 0.69 | — | — | |
| SCHEMBL10659276 | 0.67 | — | — | |
| SCHEMBL2447843 | 0.67 | — | — | |
| SCHEMBL3750849 | 0.67 | — | — | |
| SCHEMBL9024582 | 0.67 | — | — | |
| SCHEMBL294750 | 0.67 | — | — | |
| SCHEMBL6971181 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020036134-A1 | 5-(1,2,4-TRIAZOLE-5-YL) BENZOIC ACID AMIDE DERIVATIVE AND HARMFUL ORGANISM CONTROL AGENT | クミアイ化学工業株式会社 | 2020-02-20 | — | — | WO | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| EP-0008343-A1 | Cephalosporin derivatives, processes for their preparation and pharmaceutical compositions containing them | CIBA-GEIGY AG (CH) | 1980-03-05 | — | — | EP | disclosed |