⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14652656 | 0.71 | — | — | |
| SCHEMBL14652734 | 0.70 | — | — | |
| SCHEMBL14652706 | 0.70 | — | — | |
| SCHEMBL14654604 | 0.64 | — | — | |
| SCHEMBL14621073 | 0.61 | PARP1 (0.36) | — | |
| SCHEMBL15430632 | 0.61 | — | — | |
| SCHEMBL14960213 | 0.61 | — | — | |
| SCHEMBL19293245 | 0.61 | — | — | |
| SCHEMBL15430418 | 0.60 | — | — | |
| SCHEMBL15430544 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3702349-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | Samsung Electronics Co., Ltd. (KR) | 2020-09-02 | — | — | EP | disclosed |
| EP-3664173-A1 | ORGANIC ELECTROLUMINESCENCE ELEMENT CONTAINING COMPOUND HAVING BENZOAZOLE RING STRUCTURE | Hodogaya Chemical Co., Ltd. (JP) | 2020-06-10 | — | — | EP | disclosed |
| WO-2015050253-A1 | ANILINE DERIVATIVES AND USES THEREOF | 日産化学工業株式会社 | 2015-04-09 | — | — | WO | disclosed |
| WO-2014009317-A1 | BENZIMIDAZO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ELECTRONIC APPLICATIONS | BASF SE (DE) | 2014-01-16 | — | — | WO | disclosed |