⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8557207 | 0.77 | — | — | |
| SCHEMBL27569659 | 0.74 | HDAC8 (0.39) | — | |
| SCHEMBL8615368 | 0.74 | MCL1 (0.40) | — | |
| SCHEMBL8482532 | 0.72 | KDM4E (0.40) | — | |
| SCHEMBL10443636 | 0.69 | — | — | |
| SCHEMBL1303381 | 0.69 | — | — | |
| SCHEMBL17966748 | 0.67 | — | — | |
| SCHEMBL2194265 | 0.67 | — | — | |
| SCHEMBL8556055 | 0.67 | KDM5B (0.46) | — | |
| SCHEMBL8781587 | 0.67 | CXCL8 (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5968916-A | AGRICULTURAL INSECTICIDES, NEMATOCIDES OR MITICIDES | MONSANTO COMPANY (US) | 1999-10-19 | — | — | US | disclosed |
| US-5811578-A | 4-BROMO-3-CHLORO-3,4,4-TRIFLUOROBUTANOYL CHLORIDE | MONSANTO COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5723470-A | NEMATOCIDES, INSECTICIDES OR MITICIDES | MONSANTO COMPANY (US) | 1998-03-03 | — | — | US | disclosed |
| US-5708032-A | THIOAMIDES | MONSANTO COMPANY (US) | 1998-01-13 | — | — | US | disclosed |
| US-5700840-A | PESTICIDES FOR AGRICULTURAL CROPS | MONSANTO COMPANY (US) | 1997-12-23 | — | — | US | disclosed |
| US-5514717-A | AGRICULTURAL USE, NEMATOCIDES, MITICIDES, INSECTICIDES | MONSANTO COMPANY (US) | 1996-05-07 | — | — | US | disclosed |