⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8742283 | 1.00 | — | — | |
| SCHEMBL8613578 | 1.00 | — | — | |
| SCHEMBL1935014 | 0.72 | — | — | |
| SCHEMBL8613577 | 0.71 | — | — | |
| SCHEMBL22195151 | 0.71 | — | — | |
| SCHEMBL18850308 | 0.71 | — | — | |
| SCHEMBL16257930 | 0.71 | — | — | |
| SCHEMBL1019528 | 0.69 | — | — | |
| SCHEMBL5168066 | 0.69 | — | — | |
| SCHEMBL12915590 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012074857-A2 | IMPROVED PROCESS FOR THE PREPARATION OF 2-TRIFLUOROMETHYL-5-(1-SUBSTITUTED)ALKYLPYRIDINES | DOW AGROSCIENCES LLC (US) | 2012-06-07 | — | — | WO | disclosed |