⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6773858 | 0.88 | SPR (0.31) | — | |
| SCHEMBL6774606 | 0.88 | CTSK (0.33) | — | |
| SCHEMBL6771657 | 0.83 | SPR (0.33) | — | |
| SCHEMBL6772432 | 0.81 | SPR (0.31) | — | |
| SCHEMBL6772639 | 0.81 | SPR (0.40) | — | |
| SCHEMBL6773207 | 0.78 | SPR (0.32) | — | |
| SCHEMBL9004054 | 0.74 | SPR (0.35) | — | |
| SCHEMBL8427416 | 0.73 | SPR (0.37) | — | |
| SCHEMBL7833058 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL6779889 | 0.71 | SPR (0.35) | — |
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 |