⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2078512 | 0.91 | USP2 (0.32) | — | |
| SCHEMBL2076113 | 0.91 | P2RY2 (0.33) | — | |
| SCHEMBL14206999 | 0.87 | — | — | |
| SCHEMBL12428159 | 0.86 | CHEK1 (0.35) | — | |
| SCHEMBL2076955 | 0.83 | USP2 (0.33) | — | |
| SCHEMBL2075433 | 0.83 | HSD17B10 (0.32) | — | |
| SCHEMBL2078688 | 0.82 | USP2 (0.34) | — | |
| SCHEMBL2076973 | 0.81 | P2RY2 (0.33) | — | |
| SCHEMBL12845146 | 0.81 | USP2 (0.32) | — | |
| SCHEMBL2075556 | 0.80 | SYK (0.30) | — |
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-2351751-A1 | Substituted pyrazolopyrimidines | CEPHALON, INC. (US) | 2011-08-03 | — | — | EP | disclosed |