⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22560030 | 0.68 | GAA (0.33) | — | |
| SCHEMBL22560028 | 0.68 | GAA (0.33) | — | |
| SCHEMBL22559992 | 0.66 | FUCA1 (0.31) | — | |
| SCHEMBL22559982 | 0.63 | — | — | |
| SCHEMBL11106060 | 0.62 | GAA (0.56) | — | |
| SCHEMBL22559980 | 0.59 | GAA (0.33) | — | |
| SCHEMBL10031828 | 0.58 | GAA (0.52) | — | |
| SCHEMBL14193503 | 0.58 | — | — | |
| SCHEMBL14401635 | 0.58 | — | — | |
| SCHEMBL13993379 | 0.58 | — | — |
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-10808059-B2 | Polymer | CANON KABUSHIKI KAISHA (JP) | 2020-10-20 | — | — | US | disclosed |