⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14492007 | 0.78 | SLC6A2 (0.37) | — | |
| SCHEMBL14099384 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL23764557 | 0.66 | — | — | |
| SCHEMBL14492018 | 0.66 | PRMT5 (0.41) | — | |
| SCHEMBL14492006 | 0.65 | CYP11B1 (0.39) | — | |
| SCHEMBL14099531 | 0.64 | SLC6A2 (0.38) | — | |
| SCHEMBL14099381 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL14492024 | 0.63 | MAPT (0.34) | — | |
| SCHEMBL14492022 | 0.62 | MAPT (0.33) | — | |
| SCHEMBL14492025 | 0.62 | MAPT (0.33) | — |
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-1956011-A1 | AMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME | Idemitsu Kosan Co., Ltd. (JP) | 2008-08-13 | — | — | EP | disclosed |