⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL123668 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27603450 | 0.94 | — | — | |
| Pyridazine SCHEMBL15779149 | 0.86 | NOS1 (0.34) | — | |
| Pyridine SCHEMBL15779432 | 0.84 | TSHR (0.45) | — | |
| Sulfuric Acid SCHEMBL28166940 | 0.84 | NOS1 (0.33) | — | |
| Pyrimidine SCHEMBL15778016 | 0.84 | NOS1 (0.33) | — | |
| Chlorobenzene SCHEMBL10646564 | 0.77 | NOTUM (0.47) | — | |
| Aminothiazole SCHEMBL9354390 | 0.72 | ALDH1A1 (0.56) | — | |
| SCHEMBL4339831 | 0.71 | DAO (0.30) | — | |
| SCHEMBL30418871 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115005215-A | Mixtures and compositions comprising a paenibacillus strain or fusaricidin and a chemical pesticide | 巴斯夫欧洲公司 | 2022-09-06 | — | — | CN | disclosed |
| CN-109068645-B | Mixtures and compositions comprising a paenibacillus strain or fusaricidin and a chemical pesticide | 巴斯夫欧洲公司 | 2022-07-08 | — | — | CN | disclosed |