⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3151557 | 0.61 | — | — | |
| SCHEMBL25006968 | 0.60 | NPC1 (0.35) | — | |
| SCHEMBL23762427 | 0.56 | — | — | |
| SCHEMBL19847994 | 0.53 | — | — | |
| SCHEMBL21790304 | 0.51 | CA2 (0.47) | — | |
| SCHEMBL16301932 | 0.49 | — | — | |
| SCHEMBL18729666 | 0.49 | PTPN1 (0.47) | — | |
| SCHEMBL14303451 | 0.49 | — | — | |
| SCHEMBL8670863 | 0.49 | — | — | |
| SCHEMBL9630730 | 0.48 | GSTP1 (0.33) | — |
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-3133445-A1 | CHEMICALLY AMPLIFIED RESIST MATERIAL | OSAKA UNIVERSITY (JP) | 2017-02-22 | — | — | EP | disclosed |