⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14219966 | 1.00 | — | — | |
| SCHEMBL14219591 | 0.94 | — | — | |
| SCHEMBL14219572 | 0.93 | — | — | |
| SCHEMBL14219969 | 0.93 | — | — | |
| SCHEMBL14219393 | 0.92 | CYP2D6 (0.32) | — | |
| SCHEMBL14219922 | 0.92 | CYP2D6 (0.32) | — | |
| SCHEMBL14219938 | 0.88 | POLB (0.38) | — | |
| SCHEMBL14219948 | 0.88 | POLB (0.38) | — | |
| SCHEMBL14219908 | 0.87 | OPRM1 (0.30) | — | |
| SCHEMBL14219933 | 0.87 | MAOB (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1650285-B1 | Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element | SEIMI CHEM KK (JP) | 2008-04-30 | — | — | EP | disclosed |