⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16613489 | 0.87 | CYP1A1 (0.30) | — | |
| SCHEMBL13086877 | 0.84 | MAPT (0.40) | — | |
| SCHEMBL16613577 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL16613658 | 0.82 | ENPP1 (0.36) | — | |
| SCHEMBL16613304 | 0.82 | MAPT (0.33) | — | |
| SCHEMBL24154025 | 0.81 | MAPT (0.38) | — | |
| SCHEMBL22479757 | 0.81 | MAPT (0.38) | — | |
| SCHEMBL25602971 | 0.81 | MAPT (0.38) | — | |
| SCHEMBL16787983 | 0.81 | MAPT (0.40) | — | |
| SCHEMBL16613578 | 0.81 | AHR (0.36) | — |
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 |