⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL408066 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL21806562 | 0.95 | — | — | |
| Water SCHEMBL28157030 | 0.95 | — | — | |
| SCHEMBL27498321 | 0.95 | — | — | |
| Benzene SCHEMBL28290730 | 0.88 | FFAR3 (0.35) | — | |
| Dimethylamine SCHEMBL28015897 | 0.84 | — | — | |
| Urea SCHEMBL27525152 | 0.82 | — | — | |
| SCHEMBL20362961 | 0.73 | — | — | |
| SCHEMBL607381 | 0.70 | — | — | |
| SCHEMBL7784367 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0759429-B1 | Substituted trifluormethylpyridines useful as intermediates for herbicidal 1-(pyridyl)-pyrazoles | BASF AG (DE) | 2001-10-24 | — | — | EP | disclosed |
| US-5849920-A | Substituted trifluoromethylpyridines | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-15 | — | — | US | disclosed |
| US-5750705-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-05-12 | — | — | US | disclosed |
| EP-0759429-A1 | Substituted trifluormethylpyridines useful as intermediates for herbicidal 1-(pyridyl)-pyrazoles | BASF Aktiengesellschaft (DE) | 1997-02-26 | — | — | EP | disclosed |