⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6772364 | 0.91 | DDB1 (0.33) | — | |
| SCHEMBL6772622 | 0.91 | MCL1 (0.31) | — | |
| SCHEMBL6778916 | 0.89 | GABRA1 (0.30) | — | |
| SCHEMBL6776192 | 0.89 | MAPK1 (0.36) | — | |
| SCHEMBL6771406 | 0.86 | MCL1 (0.30) | — | |
| SCHEMBL6774106 | 0.84 | DDB1 (0.35) | — | |
| SCHEMBL6768450 | 0.84 | GABRA1 (0.34) | — | |
| SCHEMBL6772481 | 0.84 | DDB1 (0.36) | — | |
| SCHEMBL6777957 | 0.83 | POLB (0.32) | — | |
| SCHEMBL6773560 | 0.82 | — | — |
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-6756343-B1 | CONTROLLING RICE PADDY FIELD WEEDS AT LOW DOSAGE DOSE; PLANT SAFENING | IDEMITSU KOSAN CO., LTD. (JP) | 2004-06-29 | — | — | US | disclosed |
| US-20040002425-A1 | Triketone derivatives and herbicides | IDEMITSU KOSAN CO., LTD. (JP) | 2004-01-01 | — | — | US | disclosed |
| EP-1120413-A1 | TRIKETONE DERIVATIVE AND HERBICIDE | IDEMITSU KOSAN COMPANY LIMITED (JP) | 2001-08-01 | — | — | EP | disclosed |