⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23967836 | 0.89 | CA12 (0.34) | — | |
| SCHEMBL10083102 | 0.84 | PIM3 (0.30) | — | |
| SCHEMBL23967916 | 0.81 | PIM3 (0.31) | — | |
| SCHEMBL10083046 | 0.81 | S1PR4 (0.32) | — | |
| SCHEMBL10083907 | 0.80 | PIM3 (0.36) | — | |
| SCHEMBL12839867 | 0.79 | PIM3 (0.32) | — | |
| SCHEMBL23967918 | 0.79 | PIM3 (0.33) | — | |
| SCHEMBL23967765 | 0.78 | PIM3 (0.36) | — | |
| SCHEMBL23238545 | 0.75 | PIM3 (0.36) | — | |
| SCHEMBL17949974 | 0.75 | CYP1A1 (0.32) | — |
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-2441750-A1 | AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME | Idemitsu Kosan Co., Ltd. (JP) | 2012-04-18 | — | — | EP | disclosed |