⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13557616 | 0.97 | — | — | |
| SCHEMBL13557674 | 0.94 | KDM4E (0.32) | — | |
| SCHEMBL13557677 | 0.94 | KDM4E (0.34) | — | |
| SCHEMBL13557736 | 0.93 | TSPO (0.31) | — | |
| SCHEMBL13557733 | 0.92 | — | — | |
| SCHEMBL13557619 | 0.92 | HDAC4 (0.32) | — | |
| SCHEMBL16547123 | 0.91 | HDAC4 (0.33) | — | |
| SCHEMBL16488258 | 0.91 | GPR3 (0.31) | — | |
| SCHEMBL13557742 | 0.91 | — | — | |
| SCHEMBL16547114 | 0.91 | — | — |
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-20120273766-A1 | AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2012-11-01 | — | — | US | disclosed |
| US-20120273766-A1 | AROMATIC HETEROCYCLIC DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME | IDEMITSU KOSAN CO., LTD. (JP) | 2012-11-01 | — | — | US | disclosed |