⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2163069 | 0.72 | — | — | |
| SCHEMBL28249843 | 0.69 | — | — | |
| SCHEMBL15541274 | 0.69 | — | — | |
| SCHEMBL17686893 | 0.65 | — | — | |
| Formic Acid Methyl Ester SCHEMBL28856199 | 0.65 | — | — | |
| SCHEMBL30396151 | 0.64 | — | — | |
| SCHEMBL10658028 | 0.64 | — | — | |
| SCHEMBL15128041 | 0.61 | — | — | |
| SCHEMBL28098947 | 0.60 | — | — | |
| Formic Acid Methyl Ester SCHEMBL27996317 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6297386-B1 | BY REACTING THE ENOLATE OF A 2,4-DIKETOCARBOXYLIC ESTER IN THE PRESENCE OF A SOLVENT AND WATER WITH AN N-ALKYLHYDRAZINIUM SALT,PARTICULARLY ECONOMICAL PREPARATION OF AND WITH ONLY LIMITED FORMATION OF UNDESIRABLE ISOMERS. PATENT NUMBER: | BAYER AKTIENGESELLSCHAFT (DE) | 2001-10-02 | — | — | US | disclosed |
| US-5977378-A | Process for the preparation of 1-alkyl-pyrazole-5-carboxylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1999-11-02 | — | — | US | disclosed |