⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22047891 | 0.83 | NOS3 (0.32) | — | |
| SCHEMBL18100610 | 0.77 | FYN (0.34) | — | |
| SCHEMBL15077808 | 0.76 | — | — | |
| SCHEMBL21241999 | 0.76 | — | — | |
| SCHEMBL23240903 | 0.74 | — | — | |
| SCHEMBL6911553 | 0.74 | — | — | |
| SCHEMBL10287628 | 0.74 | — | — | |
| SCHEMBL8947924 | 0.74 | CES2 (0.32) | — | |
| SCHEMBL10048294 | 0.74 | — | — | |
| Methane SCHEMBL17867479 | 0.72 | CES2 (0.31) | — |
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-3211682-A1 | AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL AND ORGANIC ELECTROLUMINESCENCE DEVICE FIELD | Idemitsu Kosan Co., Ltd (JP) | 2017-08-30 | — | — | EP | disclosed |