⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24028848 | 0.88 | — | — | |
| SCHEMBL24029291 | 0.80 | NQO2 (0.41) | — | |
| SCHEMBL24028980 | 0.78 | MAPT (0.32) | — | |
| SCHEMBL27019750 | 0.68 | NQO1 (0.35) | — | |
| SCHEMBL24029290 | 0.68 | NQO2 (0.39) | — | |
| SCHEMBL24029292 | 0.68 | NQO1 (0.32) | — | |
| SCHEMBL24028839 | 0.66 | CYP1B1 (0.42) | — | |
| SCHEMBL24028934 | 0.66 | NQO2 (0.42) | — | |
| SCHEMBL24030800 | 0.64 | — | — | |
| SCHEMBL29093453 | 0.62 | HSD17B10 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021230654-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2021-11-18 | — | — | WO | disclosed |