⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14902790 | 0.82 | TDP1 (0.36) | — | |
| SCHEMBL5407808 | 0.79 | LMNA (0.33) | — | |
| SCHEMBL14900659 | 0.79 | LMNA (0.33) | — | |
| SCHEMBL271716 | 0.79 | LMNA (0.33) | — | |
| SCHEMBL271148 | 0.70 | — | — | |
| SCHEMBL16418041 | 0.67 | RAB9A (0.40) | — | |
| SCHEMBL16449483 | 0.66 | — | — | |
| SCHEMBL14900660 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL24176852 | 0.62 | — | — | |
| SCHEMBL12655279 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130109853-A1 | PREPARATION METHOD OF 5-[[2(R)-[1(R)-[3,5-BIS(TRIFLUOROMETHYL) PHENYL]ETHOXY]-3(S)-4-FLUOROPHENYL-4-MORPHOLINYL]METHYL]-1,2-DIHYDRO-3H-1,2,4-TRIAZOLE-3-ONE | CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) | 2013-05-02 | — | — | US | disclosed |