⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7139336 | 1.00 | — | — | |
| SCHEMBL7139333 | 1.00 | — | — | |
| SCHEMBL7144835 | 0.92 | KIF11 (0.32) | — | |
| SCHEMBL5404159 | 0.92 | KIF11 (0.32) | — | |
| SCHEMBL5410346 | 0.92 | KIF11 (0.32) | — | |
| SCHEMBL5404176 | 0.92 | KIF11 (0.32) | — | |
| SCHEMBL7142124 | 0.92 | KIF11 (0.32) | — | |
| SCHEMBL5410587 | 0.81 | KIF11 (0.31) | — | |
| SCHEMBL7141662 | 0.81 | KIF11 (0.31) | — | |
| SCHEMBL5411733 | 0.80 | SLC6A3 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7189756-B2 | Pyrrolidine derivatives | HOFFMAN-LA ROCHE INC. (US) | 2007-03-13 | — | — | US | disclosed |
| US-20040242672-A1 | Useful as inhibitors of metalloproteases, e.g. zinc proteases; effective in treating disease states associated with vasoconstriction such as high blood pressure, coronary disorders, cardiac insufficiency, renal and myocardial ischaemia, renal insufficiency, dialysis, cerebral ischaemia | AEBI JOHANNES (CH) | 2004-12-02 | — | — | US | disclosed |
| US-6790860-B2 | USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION | HOFFMANN-LA ROCHE INC. | 2004-09-14 | — | — | US | disclosed |
| US-20030199569-A1 | Pyrrolidine derivatives | AEBI JOHANNES (CH) | 2003-10-23 | — | — | US | disclosed |
| US-20020040146-A1 | Pyrrolidine derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2002-04-04 | — | — | US | disclosed |