⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3355253 | 0.86 | SLC1A3 (0.32) | — | |
| SCHEMBL3355257 | 0.86 | SLC1A3 (0.32) | — | |
| SCHEMBL28626659 | 0.76 | GRIK1 (0.36) | — | |
| SCHEMBL10119429 | 0.76 | GRIK1 (0.36) | — | |
| SCHEMBL13901422 | 0.71 | GRIK1 (0.31) | — | |
| SCHEMBL2997282 | 0.70 | MMP1 (0.35) | — | |
| SCHEMBL2997284 | 0.70 | MMP1 (0.35) | — | |
| SCHEMBL11141173 | 0.70 | SLC1A3 (0.30) | — | |
| SCHEMBL11137107 | 0.67 | — | — | |
| SCHEMBL8101229 | 0.66 | SLC1A3 (0.48) | — |
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-8450519-B2 | Process for preparing octenoic acid derivatives | REUTER CHEMISCHER APPARATEBAU KG (DE) | 2013-05-28 | — | — | US | claimed |
| US-8450519-B2 | Process for preparing octenoic acid derivatives | REUTER CHEMISCHER APPARATEBAU KG (DE) | 2013-05-28 | — | — | US | disclosed |
| US-8445708-B2 | Process for preparing chiral octenoic acid derivatives | REUTER CHEMISCHER APPARATEBAU KG (DE) | 2013-05-21 | — | — | US | disclosed |
| US-20120178959-A1 | PROCESS FOR PREPARING OCTENOIC ACID DERIVATIVES | REUTER CHEMISCHER APPARATEBAU KG | 2012-07-12 | — | — | US | disclosed |
| US-20090221848-A1 | PROCESS FOR PREPARING OCTENOIC ACID DERIVATIVES | REUTER CHEMISCHER APPARATEBAU KG (DE) | 2009-09-03 | — | — | US | disclosed |