⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8871777 | 0.92 | — | — | |
| SCHEMBL8545732 | 0.84 | RAB9A (0.31) | — | |
| SCHEMBL6721331 | 0.80 | RAB9A (0.34) | — | |
| SCHEMBL8871132 | 0.78 | RAB9A (0.33) | — | |
| SCHEMBL8871045 | 0.73 | — | — | |
| SCHEMBL8134238 | 0.72 | RAB9A (0.32) | — | |
| SCHEMBL8871394 | 0.69 | — | — | |
| SCHEMBL8871398 | 0.69 | — | — | |
| SCHEMBL8870505 | 0.68 | SPR (0.34) | — | |
| SCHEMBL8870502 | 0.68 | SPR (0.34) | — |
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-5506194-A | CARBONYLTHIOCHROMAN HERBICIDES; PHYTOTOXICITY | IDEMITSU KOSAN CO., LTD. (JP) | 1996-04-09 | — | — | US | claimed |
| 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 |