⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10034197 | 0.90 | — | — | |
| SCHEMBL14460409 | 0.89 | — | — | |
| SCHEMBL14460416 | 0.88 | KDM4E (0.32) | — | |
| SCHEMBL14460374 | 0.87 | KDM4E (0.32) | — | |
| SCHEMBL14460254 | 0.87 | KDM4E (0.32) | — | |
| SCHEMBL14460220 | 0.83 | ALK (0.31) | — | |
| SCHEMBL14460215 | 0.82 | — | — | |
| SCHEMBL14460322 | 0.82 | — | — | |
| SCHEMBL14460483 | 0.81 | — | — | |
| SCHEMBL14460377 | 0.81 | KDM4E (0.32) | — |
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-8431251-B2 | Heterocyclic compound and organic light-emitting device comprising the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2013-04-30 | — | — | US | disclosed |
| US-20130001524-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME | SAMSUNG MOBILE DISPLAY CO., LTD. (KR) | 2013-01-03 | — | — | US | disclosed |