⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21764556 | 0.84 | AKR1C3 (0.32) | — | |
| SCHEMBL22452204 | 0.79 | ENPP1 (0.36) | — | |
| SCHEMBL27254358 | 0.77 | — | — | |
| SCHEMBL22994310 | 0.76 | ALOX5 (0.35) | — | |
| SCHEMBL8302403 | 0.74 | HTR2B (0.36) | — | |
| SCHEMBL22783403 | 0.73 | RAB9A (0.34) | — | |
| SCHEMBL27254357 | 0.73 | NCOA1 (0.32) | — | |
| SCHEMBL23154784 | 0.72 | MGLL (0.33) | — | |
| SCHEMBL23224683 | 0.71 | PDK2 (0.35) | — | |
| SCHEMBL22994134 | 0.71 | — | — |
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-3778596-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | Idemitsu Kosan Co.,Ltd. (JP) | 2021-02-17 | — | — | EP | disclosed |