⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20209401 | 0.75 | CYP1A2 (0.35) | — | |
| SCHEMBL29352264 | 0.72 | ADRA2A (0.36) | — | |
| SCHEMBL50690 | 0.72 | ADRA2A (0.36) | — | |
| SCHEMBL30365719 | 0.72 | ADRA2A (0.36) | — | |
| Hydrochloric Acid SCHEMBL28386300 | 0.71 | ADRA2A (0.35) | — | |
| SCHEMBL524779 | 0.71 | — | — | |
| SCHEMBL9355045 | 0.70 | KDM4E (0.30) | — | |
| SCHEMBL6011282 | 0.69 | — | — | |
| SCHEMBL13366645 | 0.69 | — | — | |
| SCHEMBL417512 | 0.68 | CYP3A4 (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-2009082157-A2 | ARYL AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME | DOOSAN CORPORATION (KR) | 2009-07-02 | — | — | WO | disclosed |