⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1705087 | 0.82 | — | — | |
| SCHEMBL10980401 | 0.74 | — | — | |
| SCHEMBL2529376 | 0.74 | — | — | |
| SCHEMBL11446254 | 0.71 | — | — | |
| SCHEMBL215414 | 0.71 | — | — | |
| SCHEMBL9316497 | 0.69 | — | — | |
| SCHEMBL8435452 | 0.68 | — | — | |
| SCHEMBL1705197 | 0.68 | — | — | |
| SCHEMBL8435241 | 0.68 | — | — | |
| SCHEMBL12847534 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1335903-A1 | 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-20 | — | — | EP | disclosed |
| WO-2002042275-A1 | 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-30 | — | — | WO | disclosed |