⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3628535 | 0.73 | — | — | |
| SCHEMBL15055208 | 0.69 | — | — | |
| SCHEMBL9336084 | 0.69 | — | — | |
| SCHEMBL3632992 | 0.68 | — | — | |
| SCHEMBL2874977 | 0.68 | — | — | |
| SCHEMBL7087062 | 0.68 | — | — | |
| SCHEMBL3634895 | 0.64 | — | — | |
| SCHEMBL15974866 | 0.64 | — | — | |
| SCHEMBL4753612 | 0.59 | — | — | |
| SCHEMBL12607119 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6462076-B2 | CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. | HOFFMANN-LA ROCHE INC. | 2002-10-08 | — | — | US | disclosed |