⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL779384 | 0.77 | CYP1A2 (0.35) | — | |
| SCHEMBL24105728 | 0.74 | ACHE (0.44) | — | |
| SCHEMBL7670013 | 0.74 | MPO (0.36) | — | |
| SCHEMBL12433418 | 0.73 | ACHE (0.31) | — | |
| SCHEMBL11891674 | 0.73 | NOS3 (0.40) | — | |
| SCHEMBL172385 | 0.71 | — | — | |
| SCHEMBL18231882 | 0.71 | HTR2A (0.33) | — | |
| SCHEMBL24767274 | 0.71 | P2RX7 (0.33) | — | |
| SCHEMBL23428939 | 0.70 | NOS2 (0.44) | — | |
| SCHEMBL20076878 | 0.70 | CYP3A4 (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 |
|---|---|---|---|---|---|---|---|
| WO-2016143634-A1 | LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, COMPOSITE MATERIAL CONTAINING LIQUID CRYSTAL, AND LIQUID CRYSTAL DISPLAY ELEMENT USING LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION OR COMPOSITE MATERIAL CONTAINING LIQUID CRYSTAL | JNC株式会社 | 2016-09-15 | — | — | WO | disclosed |