⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8002057 | 0.87 | — | — | |
| SCHEMBL9423258 | 0.84 | DHODH (0.31) | — | |
| SCHEMBL10698918 | 0.84 | FFAR4 (0.34) | — | |
| SCHEMBL10696991 | 0.83 | PTGS2 (0.32) | — | |
| SCHEMBL7256284 | 0.80 | ICMT (0.32) | — | |
| SCHEMBL10696998 | 0.80 | — | — | |
| SCHEMBL10695876 | 0.80 | BCAT1 (0.34) | — | |
| SCHEMBL10695874 | 0.80 | BCAT1 (0.34) | — | |
| SCHEMBL27674178 | 0.80 | — | — | |
| SCHEMBL10574869 | 0.79 | L3MBTL1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-H1923-H | (OXAALKYL)PHENYL-SUBSTITUTED HETEROCYCLES ARE USEFUL AS PRE-EMERGENT AND POST-EMERGENT HERBICIDES | FMC CORPORATION (US) | 2000-11-07 | — | — | US | disclosed |