⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7853551 | 0.65 | DAO (0.31) | — | |
| SCHEMBL7853491 | 0.65 | DAO (0.31) | — | |
| SCHEMBL8924457 | 0.62 | — | — | |
| SCHEMBL17851152 | 0.61 | — | — | |
| SCHEMBL7541522 | 0.61 | — | — | |
| SCHEMBL18697772 | 0.60 | — | — | |
| SCHEMBL12928288 | 0.60 | CYP1A2 (0.34) | — | |
| SCHEMBL21215341 | 0.60 | — | — | |
| SCHEMBL4523631 | 0.60 | LMNA (0.33) | — | |
| SCHEMBL15256268 | 0.60 | — | — |
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-2001019808-A1 | CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |