⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8199466 | 0.80 | USP2 (0.33) | — | |
| SCHEMBL16398869 | 0.80 | USP2 (0.31) | — | |
| SCHEMBL16398866 | 0.80 | USP2 (0.31) | — | |
| SCHEMBL25099078 | 0.79 | — | — | |
| SCHEMBL16398975 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL16398973 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL1525333 | 0.77 | USP2 (0.30) | — | |
| SCHEMBL1524719 | 0.75 | CYP1A2 (0.32) | — | |
| SCHEMBL21980551 | 0.74 | — | — | |
| SCHEMBL1524713 | 0.73 | CYP1A2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1111671-A | Liquid crystal compound and liquid crystal combinated material | CHISSO CORP (JP) | 1995-11-15 | — | — | CN | disclosed |