⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6836951 | 0.77 | CYP2C9 (0.40) | — | |
| SCHEMBL5356389 | 0.77 | CYP2C9 (0.40) | — | |
| SCHEMBL850964 | 0.71 | CA12 (0.35) | — | |
| SCHEMBL28519343 | 0.69 | USP2 (0.45) | — | |
| SCHEMBL5357544 | 0.69 | KDM4E (0.42) | — | |
| SCHEMBL1140258 | 0.67 | ALDH1A1 (0.49) | — | |
| SCHEMBL849908 | 0.66 | USP2 (0.47) | — | |
| SCHEMBL16104652 | 0.64 | DPP4 (0.35) | — | |
| SCHEMBL1139876 | 0.62 | OPRM1 (0.40) | — | |
| SCHEMBL19558970 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |