⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6774197 | 0.94 | — | — | |
| SCHEMBL6772846 | 0.88 | — | — | |
| SCHEMBL6779229 | 0.87 | VEGFA (0.31) | — | |
| SCHEMBL6768450 | 0.85 | GABRA1 (0.34) | — | |
| SCHEMBL6778351 | 0.84 | OPRD1 (0.30) | — | |
| SCHEMBL6778484 | 0.83 | — | — | |
| SCHEMBL6774161 | 0.82 | — | — | |
| SCHEMBL6773560 | 0.82 | — | — | |
| SCHEMBL6772085 | 0.82 | POLB (0.31) | — | |
| SCHEMBL2783778 | 0.82 | HPD (0.36) | — |
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-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 |
| JP-2000178269-A | TRIKETONE DERIVATIVE AND HERBICIDE | IDEMITSU KOSAN CO LTD | 2000-06-27 | — | — | JP | disclosed |