⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7017468 | 0.93 | — | — | |
| SCHEMBL6062625 | 0.89 | — | — | |
| SCHEMBL7412962 | 0.83 | — | — | |
| SCHEMBL7533076 | 0.82 | — | — | |
| SCHEMBL6061719 | 0.81 | — | — | |
| SCHEMBL7416904 | 0.81 | SNCA (0.35) | — | |
| SCHEMBL7021679 | 0.81 | — | — | |
| SCHEMBL7020795 | 0.79 | — | — | |
| SCHEMBL7417579 | 0.77 | DPP4 (0.31) | — | |
| SCHEMBL7018594 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2003529546-A | — | — | 2003-10-07 | — | — | JP | claimed |
| EP-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | claimed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | claimed |
| 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 |