⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10803582 | 0.88 | — | — | |
| SCHEMBL2671635 | 0.83 | — | — | |
| SCHEMBL6902694 | 0.81 | CES2 (0.46) | — | |
| SCHEMBL7050529 | 0.81 | — | — | |
| SCHEMBL6898557 | 0.79 | CES2 (0.48) | — | |
| SCHEMBL14343817 | 0.78 | CES1 (0.43) | — | |
| SCHEMBL4543208 | 0.78 | — | — | |
| SCHEMBL27929682 | 0.76 | CES2 (0.33) | — | |
| SCHEMBL1349449 | 0.76 | CES2 (0.46) | — | |
| SCHEMBL3421317 | 0.75 | — | — |
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-6600065-B2 | Process for preparing 3-hydroxyesters from epoxide derivatives | DAVY PROCESS TECHNOLOGY LTD. (GB) | 2003-07-29 | — | — | US | disclosed |
| US-20030109744-A1 | PROCESS FOR PREPARING 3-HYDROXYESTERS FROM EPOXIDE DERIVATIVES | DAVY PROCESS TECHNOLOGY LTD. (GB) | 2003-06-12 | — | — | US | disclosed |
| EP-1304321-A2 | Process for preparing 3-Hydroxyesters from epoxide derivatives | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2003-04-23 | — | — | EP | disclosed |
| US-6465680-B2 | USING COBALT CATALYST AND PROMOTER | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2002-10-15 | — | — | US | disclosed |
| US-20020035290-A1 | Process for preparing malonate derivatives or beta -keto esters from epoxide derivatives | SAMSUNG ELECTRONICS CO., LTD. | 2002-03-21 | — | — | US | disclosed |