⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15981272 | 0.82 | — | — | |
| SCHEMBL17446961 | 0.81 | — | — | |
| SCHEMBL8412713 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL9758761 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL8412712 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL12389948 | 0.77 | — | — | |
| SCHEMBL17446895 | 0.77 | — | — | |
| SCHEMBL19321831 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL19321832 | 0.76 | — | — | |
| SCHEMBL25568221 | 0.76 | KDM4E (0.39) | — |
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 |