⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6778881 | 0.88 | POLB (0.30) | — | |
| SCHEMBL6772755 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL6774681 | 0.83 | — | — | |
| SCHEMBL2783778 | 0.81 | HPD (0.36) | — | |
| SCHEMBL6747269 | 0.81 | — | — | |
| SCHEMBL6772933 | 0.80 | SPR (0.42) | — | |
| SCHEMBL6774467 | 0.80 | SPR (0.39) | — | |
| SCHEMBL6773726 | 0.78 | — | — | |
| SCHEMBL6774041 | 0.76 | SPR (0.32) | — | |
| SCHEMBL6777840 | 0.75 | 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 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 |