⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22807908 | 0.98 | PDE6D (0.30) | — | |
| SCHEMBL20091256 | 0.88 | TUBB4A (0.31) | — | |
| SCHEMBL19735333 | 0.81 | KDM4E (0.37) | — | |
| SCHEMBL18565044 | 0.80 | ALK (0.32) | — | |
| SCHEMBL19849761 | 0.79 | TSPO (0.30) | — | |
| SCHEMBL18565042 | 0.79 | OPRD1 (0.33) | — | |
| SCHEMBL279396 | 0.78 | KDM4E (0.40) | — | |
| SCHEMBL18565021 | 0.77 | TSPO (0.38) | — | |
| SCHEMBL18565022 | 0.77 | TSPO (0.38) | — | |
| SCHEMBL19735331 | 0.77 | KDM4E (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10800969-B2 | Heterocyclic compound and organic light emitting element comprising same | LG CHEM, LTD. (KR) | 2020-10-13 | — | — | US | disclosed |
| US-20180148641-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-05-31 | — | — | US | disclosed |