⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16613382 | 0.91 | KDM4E (0.31) | — | |
| SCHEMBL14233142 | 0.89 | PRKCB (0.32) | — | |
| SCHEMBL16613314 | 0.87 | CNR1 (0.31) | — | |
| SCHEMBL16613378 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL23471625 | 0.84 | — | — | |
| SCHEMBL16613395 | 0.84 | — | — | |
| SCHEMBL23471624 | 0.83 | — | — | |
| SCHEMBL16613270 | 0.83 | KDM4E (0.33) | — | |
| SCHEMBL16613296 | 0.83 | KDM4E (0.31) | — | |
| SCHEMBL24030351 | 0.83 | TUBB4A (0.30) | — |
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-2015047058-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2015-04-02 | — | — | WO | disclosed |