⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18801297 | 0.95 | — | — | |
| SCHEMBL19706920 | 0.88 | — | — | |
| SCHEMBL18506199 | 0.83 | MEN1 (0.34) | — | |
| SCHEMBL12829856 | 0.80 | MAPT (0.35) | — | |
| SCHEMBL22294815 | 0.80 | MAPT (0.35) | — | |
| SCHEMBL19707096 | 0.80 | LTB4R2 (0.35) | — | |
| SCHEMBL10065953 | 0.78 | TRPM8 (0.35) | — | |
| SCHEMBL23616520 | 0.77 | SIGMAR1 (0.31) | — | |
| SCHEMBL23221626 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL24947706 | 0.75 | — | — |
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-3021372-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT | Hodogaya Chemical Co., Ltd. (JP) | 2016-05-18 | — | — | EP | disclosed |