⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19060249 | 0.90 | — | — | |
| SCHEMBL4083802 | 0.90 | KMT2A (0.33) | — | |
| SCHEMBL4083805 | 0.89 | KMT2A (0.34) | — | |
| SCHEMBL18877447 | 0.85 | KMT2A (0.30) | — | |
| SCHEMBL10083827 | 0.84 | — | — | |
| SCHEMBL4192536 | 0.84 | — | — | |
| SCHEMBL25632419 | 0.84 | — | — | |
| SCHEMBL23919488 | 0.79 | KMT2A (0.32) | — | |
| SCHEMBL19444870 | 0.79 | TNKS (0.32) | — | |
| SCHEMBL25140391 | 0.79 | — | — |
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-2423206-A1 | AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | Idemitsu Kosan Co., Ltd. (JP) | 2012-02-29 | — | — | EP | disclosed |