⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL771887 | 0.89 | — | — | |
| SCHEMBL16605146 | 0.84 | — | — | |
| SCHEMBL19718303 | 0.76 | NPC1 (0.33) | — | |
| SCHEMBL7791817 | 0.74 | NR1D1 (0.33) | — | |
| SCHEMBL19704631 | 0.73 | — | — | |
| SCHEMBL28382727 | 0.72 | GSK3B (0.33) | — | |
| SCHEMBL31167383 | 0.68 | — | — | |
| SCHEMBL14198887 | 0.66 | DAO (0.42) | — | |
| SCHEMBL12228811 | 0.64 | — | — | |
| SCHEMBL17714057 | 0.64 | — | — |
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-2857429-A1 | COPOLYMER, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC ELECTRICAL DEVICE, AND SOLAR CELL MODULE | Mitsubishi Chemical Corporation (JP) | 2015-04-08 | — | — | EP | disclosed |