⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21213611 | 0.89 | HPGD (0.31) | — | |
| SCHEMBL24802308 | 0.87 | KDM4E (0.34) | — | |
| SCHEMBL19239340 | 0.86 | AHR (0.32) | — | |
| SCHEMBL24801404 | 0.86 | KDM4E (0.35) | — | |
| SCHEMBL23609908 | 0.85 | — | — | |
| SCHEMBL21212851 | 0.84 | HPGD (0.32) | — | |
| SCHEMBL19239416 | 0.84 | CHEK2 (0.31) | — | |
| SCHEMBL24801481 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL24802977 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL21212849 | 0.83 | GABRP (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220411411-A1 | HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING ELEMENT, AND METHOD FOR PRODUCING ORGANIC LIGHT-EMITTING ELEMENT | LT MATERIALS CO.,LTD. (KR) | 2022-12-29 | — | — | US | disclosed |