⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL809364 | 0.81 | — | — | |
| SCHEMBL1274333 | 0.78 | — | — | |
| SCHEMBL3031983 | 0.77 | — | — | |
| SCHEMBL892008 | 0.73 | — | — | |
| SCHEMBL115906 | 0.72 | — | — | |
| SCHEMBL248516 | 0.72 | — | — | |
| SCHEMBL244891 | 0.72 | — | — | |
| SCHEMBL1357348 | 0.69 | — | — | |
| Apaflurane SCHEMBL19860 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL701875 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2684870-A1 | METHOD FOR PREPARING THIOCARBOXYLIC ACID S-(FLUOROALKYL) ESTER | Sumitomo Chemical Company Limited (JP) | 2014-01-15 | — | — | EP | disclosed |
| EP-0751133-B1 | Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same | MITSUI CHEMICALS INC (JP) | 2001-09-12 | — | — | EP | disclosed |
| US-5770108-A | HIGH SPEED RESPONSE, MOLECULAR ORIENTATION, HIGH CONTRAST, RECEPTIVITY | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-06-23 | — | — | US | disclosed |
| EP-0751133-A1 | Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1997-01-02 | — | — | EP | disclosed |