⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6141371 | 0.67 | — | — | |
| SCHEMBL240911 | 0.67 | USP2 (0.31) | — | |
| SCHEMBL23439621 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL9677529 | 0.62 | — | — | |
| SCHEMBL27495844 | 0.61 | — | — | |
| SCHEMBL19250970 | 0.60 | RIPK1 (0.34) | — | |
| SCHEMBL18854541 | 0.60 | — | — | |
| SCHEMBL11855676 | 0.60 | LMNA (0.39) | — | |
| SCHEMBL18467048 | 0.60 | MAPT (0.39) | — | |
| SCHEMBL21579299 | 0.58 | RIPK1 (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-3082819-B1 | SUBSTITUTED DIAMINOPYRIMIDYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | SIGNAL PHARM LLC (US) | 2020-06-17 | — | — | EP | disclosed |