⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8400554 | 0.81 | KEAP1 (0.31) | — | |
| SCHEMBL8400572 | 0.80 | L3MBTL1 (0.32) | — | |
| SCHEMBL8427307 | 0.78 | — | — | |
| SCHEMBL9004057 | 0.72 | — | — | |
| SCHEMBL8423663 | 0.70 | — | — | |
| SCHEMBL7853482 | 0.64 | — | — | |
| SCHEMBL8351362 | 0.64 | — | — | |
| SCHEMBL8402382 | 0.62 | — | — | |
| SCHEMBL8405172 | 0.61 | GAA (0.32) | — | |
| SCHEMBL9298583 | 0.58 | KMT2A (0.43) | — |
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-5981439-A | APPLYING TO WEEDS OR TO SOIL AN EFFECTIVE HERBICIDAL AMOUNT OF A CYCLOHEXANEDIONE DERIVATIVES | IDEMITSU KOSAN CO., LTD. (JP) | 1999-11-09 | — | — | US | disclosed |
| EP-0949257-A1 | CYCLOHEXANEDIONE DERIVATIVES AND HERBICIDES PREPARED THEREFROM | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1999-10-13 | — | — | EP | disclosed |
| US-5801121-A | Cyclohexanedione derivatives and herbicide containing them | IDEMITSU KOSAN CO., LTD. (JP) | 1998-09-01 | — | — | US | disclosed |