⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3068352 | 1.00 | — | — | |
| SCHEMBL3062278 | 1.00 | — | — | |
| SCHEMBL3070892 | 1.00 | — | — | |
| SCHEMBL3068358 | 1.00 | — | — | |
| SCHEMBL3867748 | 0.85 | CHRM2 (0.31) | — | |
| SCHEMBL10379796 | 0.83 | CHRM1 (0.43) | — | |
| SCHEMBL14663402 | 0.80 | — | — | |
| SCHEMBL5610708 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL9654862 | 0.78 | CPA1 (0.55) | — | |
| SCHEMBL2481406 | 0.78 | KMT2A (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100261251-A1 | MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-10-14 | — | — | US | claimed |
| EP-2179050-A1 | MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE | Agency for Science, Technology And Research (SG) | 2010-04-28 | — | — | EP | claimed |
| WO-2009008834-A1 | MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2009-01-15 | — | — | WO | claimed |
| US-20100261251-A1 | MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-10-14 | — | — | US | disclosed |
| EP-2179050-A1 | MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE | Agency for Science, Technology And Research (SG) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009008834-A1 | MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2009-01-15 | — | — | WO | disclosed |