⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17752278 | 0.96 | — | — | |
| SCHEMBL17752279 | 0.93 | KDM4E (0.31) | — | |
| SCHEMBL19175873 | 0.91 | KDM4E (0.31) | — | |
| SCHEMBL17752267 | 0.87 | KDM4E (0.34) | — | |
| SCHEMBL19176040 | 0.84 | — | — | |
| SCHEMBL17752271 | 0.83 | KDM4E (0.36) | — | |
| SCHEMBL17752275 | 0.82 | — | — | |
| SCHEMBL17752248 | 0.82 | NPC1 (0.37) | — | |
| SCHEMBL17883140 | 0.80 | PDE6D (0.31) | — | |
| SCHEMBL17752272 | 0.80 | KDM4E (0.31) | — |
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-20170213974-A1 | ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND | KYULUX, INC. (JP) | 2017-07-27 | — | — | US | disclosed |