⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL472649 | 0.68 | — | — | |
| SCHEMBL15251406 | 0.68 | — | — | |
| SCHEMBL13077993 | 0.68 | — | — | |
| SCHEMBL16118519 | 0.67 | — | — | |
| SCHEMBL4970931 | 0.67 | — | — | |
| SCHEMBL14950440 | 0.67 | — | — | |
| SCHEMBL27437796 | 0.66 | — | — | |
| SCHEMBL11444777 | 0.66 | GANAB (0.30) | — | |
| SCHEMBL4572511 | 0.66 | — | — | |
| SCHEMBL23058736 | 0.66 | GANAB (0.36) | — |
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-3740036-A1 | ORGANIC EL ELEMENT, AMINE COMPOUND HAVING BENZOAZOLE RING STRUCTURE, AND METHOD IN WHICH SAID AMINE COMPOUND IS USED IN CAPPING LAYER OF ORGANIC EL ELEMENT | Hodogaya Chemical Co., Ltd. (JP) | 2020-11-18 | — | — | EP | disclosed |