⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28014873 | 0.81 | KDM1A (0.32) | — | |
| SCHEMBL9724884 | 0.78 | MEN1 (0.30) | — | |
| SCHEMBL5430446 | 0.78 | L3MBTL1 (0.31) | — | |
| SCHEMBL8754613 | 0.77 | L3MBTL1 (0.30) | — | |
| SCHEMBL28899942 | 0.76 | MMP2 (0.33) | — | |
| SCHEMBL27875440 | 0.75 | — | — | |
| SCHEMBL28757191 | 0.75 | L3MBTL1 (0.33) | — | |
| SCHEMBL31738457 | 0.75 | MEN1 (0.30) | — | |
| SCHEMBL28899874 | 0.75 | MMP2 (0.34) | — | |
| SCHEMBL28899775 | 0.75 | MMP2 (0.34) | — |
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-105112073-A | Negative nitrogen heterocyclic liquid crystal compound and liquid crystal composition | XIAN MODERN CHEMISTRY RES INST | 2015-12-02 | — | — | CN | disclosed |