⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8871670 | 0.88 | GAA (0.31) | — | |
| SCHEMBL8870803 | 0.85 | — | — | |
| SCHEMBL8551341 | 0.78 | FABP4 (0.31) | — | |
| SCHEMBL8122612 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL8135015 | 0.72 | NPSR1 (0.37) | — | |
| SCHEMBL8307791 | 0.69 | TSHR (0.34) | — | |
| SCHEMBL8128422 | 0.67 | FABP4 (0.34) | — | |
| SCHEMBL8618012 | 0.67 | FABP4 (0.33) | — | |
| SCHEMBL8136281 | 0.65 | PARP1 (0.35) | — | |
| SCHEMBL8133198 | 0.65 | NPSR1 (0.37) | — |
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-5591868-A | HERBICIDE INTERMEDIATES | IDEMITSU KOSAN CO., LTD. (JP) | 1997-01-07 | — | — | US | disclosed |
| US-5506194-A | CARBONYLTHIOCHROMAN HERBICIDES; PHYTOTOXICITY | IDEMITSU KOSAN CO., LTD. (JP) | 1996-04-09 | — | — | US | disclosed |
| US-5468878-A | Herbicides | IDEMITSU KOSAN CO., LTD. (JP) | 1995-11-21 | — | — | US | disclosed |
| CN-1092419-A | Cyclohexanedione derivatives | IDEMITSU KOSAN CO (JP) | 1994-09-21 | — | — | CN | disclosed |