⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15403030 | 0.81 | — | — | |
| SCHEMBL29743191 | 0.81 | LMNA (0.30) | — | |
| SCHEMBL5165029 | 0.75 | — | — | |
| SCHEMBL14762028 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL406260 | 0.75 | — | — | |
| Water SCHEMBL4372455 | 0.73 | — | — | |
| SCHEMBL16418239 | 0.73 | LMNA (0.38) | — | |
| SCHEMBL20189852 | 0.73 | — | — | |
| Water SCHEMBL1116358 | 0.73 | — | — | |
| SCHEMBL3056072 | 0.73 | LMNA (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |