⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3973149 | 0.79 | — | — | |
| SCHEMBL5336235 | 0.74 | LMNA (0.32) | — | |
| SCHEMBL219104 | 0.71 | ALDH1A1 (0.47) | — | |
| SCHEMBL12481375 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL1554823 | 0.69 | — | — | |
| SCHEMBL1554605 | 0.68 | — | — | |
| SCHEMBL1554936 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL5635013 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL11239626 | 0.62 | ALDH1A1 (0.44) | — | |
| SCHEMBL12599746 | 0.61 | LMNA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011045807-A2 | A NOVEL PROCESS TO MANUFACTURE (2R,3S)-2-(2,4-DIFLUOROPHENYL)-3-(5-FLUOROPYRIMIDIN-4-YL)-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL | NEULAND LABORATORIES LTD. (IN) | 2011-04-21 | — | — | WO | claimed |