⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13557999 | 0.90 | — | — | |
| SCHEMBL21953639 | 0.86 | KDM4E (0.32) | — | |
| SCHEMBL13753740 | 0.86 | PDK2 (0.30) | — | |
| SCHEMBL14234449 | 0.84 | PDK2 (0.30) | — | |
| SCHEMBL12490637 | 0.84 | — | — | |
| SCHEMBL8737385 | 0.83 | — | — | |
| SCHEMBL16488266 | 0.83 | PDK2 (0.34) | — | |
| SCHEMBL13480479 | 0.82 | — | — | |
| SCHEMBL12333526 | 0.82 | KDM4E (0.36) | — | |
| SCHEMBL18084117 | 0.82 | — | — |
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 1 patent. 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 |