⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11933471 | 1.00 | — | — | |
| SCHEMBL15381792 | 0.95 | MEN1 (0.31) | — | |
| SCHEMBL15381712 | 0.95 | MEN1 (0.31) | — | |
| SCHEMBL11933472 | 0.93 | — | — | |
| SCHEMBL11933438 | 0.93 | CTSL (0.33) | — | |
| SCHEMBL11933470 | 0.93 | CTSL (0.33) | — | |
| SCHEMBL11933440 | 0.93 | — | — | |
| SCHEMBL11933112 | 0.93 | — | — | |
| SCHEMBL11933411 | 0.93 | — | — | |
| SCHEMBL12196656 | 0.93 | CCNT1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8580147-B2 | Liquid crystal compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-11-12 | — | — | US | disclosed |
| US-20120168677-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2012-07-05 | — | — | US | disclosed |