⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20041458 | 0.85 | — | — | |
| SCHEMBL20124299 | 0.71 | — | — | |
| SCHEMBL19721276 | 0.70 | — | — | |
| SCHEMBL19362483 | 0.67 | — | — | |
| SCHEMBL16383563 | 0.67 | — | — | |
| SCHEMBL15164784 | 0.65 | — | — | |
| SCHEMBL23588573 | 0.63 | TRPA1 (0.31) | — | |
| SCHEMBL9912683 | 0.58 | — | — | |
| SCHEMBL18935758 | 0.56 | — | — | |
| SCHEMBL23229839 | 0.55 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3063153-B1 | AZADIBENZOTHIOPHENES FOR ELECTRONIC APPLICATIONS | IDEMITSU KOSAN CO (JP) | 2018-03-07 | — | — | EP | disclosed |
| EP-2897959-B1 | AZADIBENZOFURANS FOR ELECTRONIC APPLICATIONS | UDC IRELAND LTD (IE) | 2017-12-20 | — | — | EP | disclosed |