⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10072010 | 0.90 | KDM1A (0.36) | — | |
| SCHEMBL10072012 | 0.90 | MCHR1 (0.32) | — | |
| SCHEMBL12975940 | 0.89 | HCRTR2 (0.33) | — | |
| SCHEMBL12975807 | 0.85 | APP (0.38) | — | |
| SCHEMBL10043102 | 0.85 | FASN (0.34) | — | |
| SCHEMBL15061076 | 0.84 | S1PR1 (0.30) | — | |
| SCHEMBL10072171 | 0.81 | KDM1A (0.37) | — | |
| SCHEMBL12975794 | 0.81 | GPR119 (0.35) | — | |
| SCHEMBL10072002 | 0.80 | — | — | |
| SCHEMBL729408 | 0.78 | — | — |
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-20120074355-A1 | FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2012-03-29 | — | — | US | disclosed |