⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21376608 | 0.77 | — | — | |
| SCHEMBL23652017 | 0.72 | MEN1 (0.34) | — | |
| SCHEMBL19325180 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL20030124 | 0.68 | CYP3A4 (0.35) | — | |
| SCHEMBL16906012 | 0.67 | MEN1 (0.31) | — | |
| SCHEMBL19325124 | 0.67 | LMNA (0.38) | — | |
| SCHEMBL21795024 | 0.63 | LMNA (0.31) | — | |
| SCHEMBL21030812 | 0.62 | THRA (0.47) | — | |
| SCHEMBL24863101 | 0.59 | — | — | |
| SCHEMBL17591563 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017115578-A1 | ORGANIC ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | 大電株式会社 | 2017-07-06 | — | — | WO | disclosed |