⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8106010 | 0.84 | OPRK1 (0.31) | — | |
| SCHEMBL8113062 | 0.80 | OPRM1 (0.31) | — | |
| SCHEMBL8113127 | 0.77 | — | — | |
| SCHEMBL8107791 | 0.70 | — | — | |
| SCHEMBL8096787 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL8114503 | 0.68 | MAPT (0.30) | — | |
| SCHEMBL8097201 | 0.67 | — | — | |
| SCHEMBL8109948 | 0.65 | — | — | |
| SCHEMBL8104817 | 0.65 | HSD11B1 (0.40) | — | |
| SCHEMBL8099511 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |