⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19960090 | 0.98 | MEN1 (0.30) | — | |
| SCHEMBL19960315 | 0.96 | MEN1 (0.30) | — | |
| SCHEMBL19960307 | 0.96 | MEN1 (0.30) | — | |
| SCHEMBL19960310 | 0.96 | MEN1 (0.30) | — | |
| SCHEMBL19960304 | 0.92 | MAPT (0.32) | — | |
| SCHEMBL19960095 | 0.92 | KDM4E (0.36) | — | |
| SCHEMBL19960096 | 0.92 | KDM4E (0.36) | — | |
| SCHEMBL19960332 | 0.91 | CYP2C9 (0.34) | — | |
| SCHEMBL19960308 | 0.91 | — | — | |
| SCHEMBL19960093 | 0.90 | AHR (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10700289-B2 | Heterocyclic compound and organic light emitting element comprising same | LG CHEM, LTD. (KR) | 2020-06-30 | — | — | US | disclosed |
| US-20180076395-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-03-15 | — | — | US | disclosed |
| US-20180076395-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-03-15 | — | — | US | disclosed |