⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22643654 | 0.79 | NPSR1 (0.38) | — | |
| SCHEMBL25733615 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL20209041 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL13854707 | 0.75 | RXRA (0.36) | — | |
| SCHEMBL13372245 | 0.73 | TRPM8 (0.36) | — | |
| SCHEMBL13261033 | 0.73 | MKNK1 (0.37) | — | |
| SCHEMBL18083028 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL711946 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL12957651 | 0.70 | HSD17B1 (0.33) | — | |
| SCHEMBL17550355 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3226320-B1 | ORGANIC ELECTROLUMINESCENT DEVICE | BEIJING VISIONOX TECHNOLOGY CO (CN) | 2019-03-13 | — | — | EP | disclosed |