⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20311889 | 0.91 | — | — | |
| SCHEMBL22926922 | 0.91 | KDM4E (0.30) | — | |
| SCHEMBL22186445 | 0.91 | KDM4E (0.30) | — | |
| SCHEMBL20311927 | 0.89 | — | — | |
| SCHEMBL18667693 | 0.87 | — | — | |
| SCHEMBL18667903 | 0.86 | — | — | |
| SCHEMBL23741294 | 0.86 | — | — | |
| SCHEMBL18667705 | 0.85 | CYP1A2 (0.32) | — | |
| SCHEMBL18667703 | 0.85 | PGR (0.30) | — | |
| SCHEMBL19573770 | 0.85 | PGR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10421721-B2 | Heterocyclic compound and organic light emitting device comprising same | LG CHEM, LTD. (KR) | 2019-09-24 | — | — | US | disclosed |
| US-20180037547-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-02-08 | — | — | US | disclosed |
| US-20180037547-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | LG CHEM, LTD. (KR) | 2018-02-08 | — | — | US | disclosed |
| WO-2017047992-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2017-03-23 | — | — | WO | disclosed |