⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1756097 | 0.75 | — | — | |
| SCHEMBL15434551 | 0.75 | — | — | |
| SCHEMBL741909 | 0.75 | — | — | |
| SCHEMBL467808 | 0.67 | TRPA1 (0.33) | — | |
| SCHEMBL10582002 | 0.67 | — | — | |
| SCHEMBL3683111 | 0.67 | — | — | |
| SCHEMBL5888410 | 0.64 | — | — | |
| SCHEMBL1101156 | 0.64 | — | — | |
| SCHEMBL9945312 | 0.62 | — | — | |
| SCHEMBL9885791 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200239775-A1 | TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2020-07-30 | — | — | US | disclosed |
| US-20130245283-A1 | THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS | ALLERGAN, INC. (US) | 2013-09-19 | — | — | US | disclosed |
| US-20030220373-A1 | Therapeutic uses of PPAR mediators | AVENTIS PHARMACEUTICALS PRODUCTS INC. | 2003-11-27 | — | — | US | disclosed |