⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9345701 | 1.00 | — | — | |
| SCHEMBL16882012 | 0.92 | — | — | |
| SCHEMBL11089998 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL23387053 | 0.88 | MEN1 (0.32) | — | |
| SCHEMBL30564565 | 0.88 | MEN1 (0.32) | — | |
| SCHEMBL30564566 | 0.88 | MEN1 (0.32) | — | |
| SCHEMBL9344144 | 0.84 | — | — | |
| SCHEMBL31623366 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL31623372 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL31623378 | 0.82 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5275756-A | Pyrimidine ether compounds for electrooptical elements | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1994-01-04 | — | — | US | disclosed |
| EP-0469893-A1 | Fluorinated pyrimidine-phenyl optically active compounds and liquid crystal compositions thereof | Takasago International Corporation (JP) | 1992-02-05 | — | — | EP | disclosed |