⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15850519 | 0.73 | CES2 (0.39) | — | |
| Acetonitrile SCHEMBL28876901 | 0.69 | NOTUM (0.31) | — | |
| SCHEMBL22143209 | 0.67 | GABRA1 (0.39) | — | |
| SCHEMBL19656647 | 0.67 | DAO (0.31) | — | |
| SCHEMBL1008442 | 0.66 | DAO (0.34) | — | |
| SCHEMBL24147282 | 0.65 | DAO (0.39) | — | |
| SCHEMBL4218653 | 0.65 | DAO (0.36) | — | |
| SCHEMBL21081880 | 0.63 | TRPV4 (0.45) | — | |
| SCHEMBL22448889 | 0.61 | DAO (0.34) | — | |
| SCHEMBL759007 | 0.61 | CA12 (0.41) | — |
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-20100026176-A1 | Transparent, Thermally Stable Light-Emitting Component Having Organic Layers | NOVALED AG (DE) | 2010-02-04 | — | — | US | disclosed |