⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31427576 | 0.67 | — | — | |
| SCHEMBL253906 | 0.67 | — | — | |
| SCHEMBL10938 | 0.67 | — | — | |
| SCHEMBL1331912 | 0.67 | — | — | |
| SCHEMBL9803971 | 0.67 | — | — | |
| SCHEMBL20507075 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL29790 | 0.63 | TSHR (0.36) | — | |
| Hydrogen Sulfide SCHEMBL1690863 | 0.63 | — | — | |
| SCHEMBL175430 | 0.63 | — | — | |
| Iodide SCHEMBL8644333 | 0.63 | — | — |
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-1312244-A | Process for preparing 3,3-dimethyl-2-formoyl cyclopropane carboxylic ester | SUMITOMO CHEMICAL CO (JP) | 2001-09-12 | — | — | CN | claimed |
| CN-1186310-C | Process for preparing 3,3-dimethyl-2-formoyl cyclopropane carboxylic ester | SUMITOMO CHEMICAL CO (JP) | 2005-01-26 | — | — | CN | disclosed |
| CN-1312244-A | Process for preparing 3,3-dimethyl-2-formoyl cyclopropane carboxylic ester | SUMITOMO CHEMICAL CO (JP) | 2001-09-12 | — | — | CN | disclosed |
| US-5939568-A | Accelerated catalysis of olefinic epoxidations | THE SCRIPPS RESEARCH INSTITUTE (US) | 1999-08-17 | — | — | US | disclosed |
| WO-1998033786-A9 | ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS | — | 1998-12-30 | — | — | WO | disclosed |
| WO-1998033786-A1 | ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-08-06 | — | — | WO | disclosed |