⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14715728 | 0.70 | KDM5B (0.36) | — | |
| SCHEMBL13839062 | 0.69 | — | — | |
| SCHEMBL15232657 | 0.65 | — | — | |
| SCHEMBL18362358 | 0.64 | — | — | |
| SCHEMBL15062781 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL477423 | 0.63 | HDAC4 (0.38) | — | |
| SCHEMBL20054138 | 0.62 | PTPN1 (0.40) | — | |
| SCHEMBL21242398 | 0.62 | HTT (0.40) | — | |
| SCHEMBL4582769 | 0.59 | — | — | |
| SCHEMBL22224797 | 0.57 | — | — |
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 |