⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25669677 | 0.76 | GRIN2D (0.33) | — | |
| SCHEMBL16257058 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL2493490 | 0.68 | CYP1A2 (0.39) | — | |
| SCHEMBL23370334 | 0.67 | KDM4E (0.30) | — | |
| SCHEMBL13480295 | 0.65 | NPSR1 (0.53) | — | |
| SCHEMBL26029366 | 0.65 | KDM4E (0.38) | — | |
| SCHEMBL25669516 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL13661685 | 0.64 | RAPGEF4 (0.36) | — | |
| SCHEMBL22529097 | 0.63 | ALDH1A1 (0.49) | — | |
| SCHEMBL21297955 | 0.63 | — | — |
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-8895768-B2 | Cyclopara (hetero) arylene compound and method for producing same | KYOTO UNIVERSITY (JP) | 2014-11-25 | — | — | US | disclosed |