⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL393333 | 0.77 | ADORA2A (0.34) | — | |
| SCHEMBL3296292 | 0.74 | CYP3A4 (0.41) | — | |
| SCHEMBL30407284 | 0.74 | CYP3A4 (0.41) | — | |
| SCHEMBL31493027 | 0.74 | MAP4K1 (0.35) | — | |
| SCHEMBL5771285 | 0.74 | MALT1 (0.33) | — | |
| SCHEMBL27691144 | 0.73 | SCN9A (0.38) | — | |
| SCHEMBL851308 | 0.71 | MALT1 (0.31) | — | |
| SCHEMBL31543481 | 0.71 | HSD17B10 (0.31) | — | |
| SCHEMBL2115862 | 0.70 | — | — | |
| SCHEMBL11303879 | 0.69 | MTNR1A (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0100795-A1 | Selected 2-trichloromethyl-4-pyrimidinyl carbamates and their use as fungicides | OLIN CORPORATION (US) | 1984-02-22 | — | — | EP | disclosed |
| US-4382087-A | Selected O-(2-trichloromethyl-4-pyrimidinyl)-O,O-dialkyl phosphorothionates and O-(2-trichloromethyl-4-pyrimidinyl)-O,O-dialkyl phosphoronates and their use as insecticides | OLIN CORPORATION (US) | 1983-05-03 | — | — | US | disclosed |
| US-4353908-A | IN AGRICULTURE | OLIN CORPORATION (US) | 1982-10-12 | — | — | US | disclosed |
| US-4352806-A | Selected 2-trichloromethyl-4-pyrimidinyl carboxylic esters and their use as fungicides | OLIN CORPORATION (US) | 1982-10-05 | — | — | US | disclosed |
| US-4343803-A | FOR PLANTS AND SOILS | OLIN CORPORATION (US) | 1982-08-10 | — | — | US | disclosed |