⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14960880 | 0.86 | — | — | |
| SCHEMBL20115672 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL16130697 | 0.83 | CNR2 (0.31) | — | |
| SCHEMBL10021511 | 0.76 | — | — | |
| SCHEMBL10035145 | 0.75 | — | — | |
| SCHEMBL17615964 | 0.74 | KDM1A (0.33) | — | |
| SCHEMBL16130607 | 0.74 | — | — | |
| SCHEMBL803247 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL12113647 | 0.73 | NAAA (0.35) | — | |
| SCHEMBL17524761 | 0.73 | — | — |
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-8846164-B2 | Compound having propyl ether as bonding group, liquid crystal composition thereof and liquid crystal display device thereof | JNC CORPORATION (JP) | 2014-09-30 | — | — | US | disclosed |