⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17772055 | 0.76 | TSHR (0.39) | — | |
| SCHEMBL9476632 | 0.73 | CES1 (0.37) | — | |
| SCHEMBL4951244 | 0.72 | — | — | |
| SCHEMBL5365546 | 0.72 | — | — | |
| SCHEMBL867380 | 0.72 | — | — | |
| SCHEMBL3264919 | 0.71 | CES1 (0.34) | — | |
| SCHEMBL2428134 | 0.71 | — | — | |
| SCHEMBL85653 | 0.71 | NR1H2 (0.36) | — | |
| SCHEMBL12128282 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL22623957 | 0.71 | TSHR (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109485632-B | Method for preparing cyclic sulfite | 山东石大胜华化工集团股份有限公司 | 2021-05-07 | — | — | CN | disclosed |
| US-20120142063-A1 | NITRILASE BIOCATALYSTS | Codexis ,Inc. (US) | 2012-06-07 | — | — | US | disclosed |
| EP-1954668-B9 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-03-21 | — | — | EP | disclosed |
| EP-1954668-B1 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-09-28 | — | — | EP | disclosed |
| WO-2011011630-A2 | NITRILASE BIOCATALYSTS | CODEXIS, INC. (US) | 2011-01-27 | — | — | WO | disclosed |
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |