⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17487530 | 0.92 | — | — | |
| SCHEMBL17490442 | 0.89 | — | — | |
| SCHEMBL18061331 | 0.89 | OPRL1 (0.32) | — | |
| SCHEMBL17490463 | 0.88 | GRM2 (0.31) | — | |
| SCHEMBL17487533 | 0.87 | — | — | |
| SCHEMBL17487922 | 0.82 | — | — | |
| SCHEMBL17490428 | 0.81 | HCRTR2 (0.31) | — | |
| SCHEMBL18061330 | 0.81 | OPRL1 (0.32) | — | |
| SCHEMBL20380629 | 0.79 | — | — | |
| SCHEMBL18887788 | 0.79 | TAS1R3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160032187-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2016-02-04 | — | — | US | disclosed |