⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14330512 | 0.88 | TOP1 (0.31) | — | |
| SCHEMBL10034162 | 0.86 | KDM4E (0.30) | — | |
| SCHEMBL2601476 | 0.86 | KDM4E (0.30) | — | |
| SCHEMBL2601545 | 0.85 | JAK2 (0.30) | — | |
| SCHEMBL14330527 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL14330559 | 0.83 | — | — | |
| SCHEMBL14330595 | 0.83 | DYRK1A (0.31) | — | |
| SCHEMBL2601485 | 0.82 | — | — | |
| SCHEMBL14460201 | 0.78 | — | — | |
| SCHEMBL14460212 | 0.78 | — | — |
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-8623521-B2 | Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-01-07 | — | — | US | disclosed |
| US-8623521-B2 | Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-01-07 | — | — | US | disclosed |
| US-20120326134-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND | SAMSUNG DISPLAY CO., LTD. (KR) | 2012-12-27 | — | — | US | disclosed |
| US-20120326134-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND | SAMSUNG DISPLAY CO., LTD. (KR) | 2012-12-27 | — | — | US | disclosed |