⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11516509 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL7500208 | 0.80 | PLOD2 (0.40) | — | |
| SCHEMBL434777 | 0.78 | LDHA (0.42) | — | |
| SCHEMBL11728646 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL5664808 | 0.76 | MGAM (0.36) | — | |
| Hydrochloric Acid SCHEMBL3679171 | 0.76 | LDHA (0.40) | — | |
| SCHEMBL11516260 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL8559280 | 0.74 | NPC1 (0.32) | — | |
| SCHEMBL129536 | 0.72 | MGAM (0.44) | — | |
| SCHEMBL11517662 | 0.72 | TDP1 (0.41) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8481778-B2 | Process for the preparation of esters of 4-fluorosubstituted 3-oxo-alcanoic acids | SOLVAY (SOCIETE ANONYME) (BE) | 2013-07-09 | — | — | US | claimed |
| US-20110301378-A1 | Process for the preparation of esters of 4-fluorosubstituted 3-oxo-alcanoic acids | SOLVAY (SOCIETE ANONYME) (BE) | 2011-12-08 | — | — | US | claimed |
| CN-111072566-B | Preparation method and application of pyrazole derivative | 宿迁市科莱博生物化学有限公司 | 2022-02-08 | — | — | CN | disclosed |
| CN-107663172-B | Preparation method of pyrazole derivative | 宿迁市科莱博生物化学有限公司 | 2021-04-16 | — | — | CN | disclosed |
| CN-111072566-A | Preparation method and application of pyrazole derivative | 宿迁市科莱博生物化学有限公司 | 2020-04-28 | — | — | CN | disclosed |
| CN-110577503-A | halogen substituted compound and preparation method and application thereof | 宿迁市科莱博生物化学有限公司 | 2019-12-17 | — | — | CN | disclosed |
| CN-110577477-A | Halogen substituted intermediate compound and preparation method and application thereof | 宿迁市科莱博生物化学有限公司 | 2019-12-17 | — | — | CN | disclosed |
| EP-2181087-B1 | PROCESS FOR THE PREPARATION OF ESTERS OF 4-FLUOROSUBSTITUTED 3-OXO-ALCANOIC ACIDS | SOLVAY (BE) | 2015-10-14 | — | — | EP | disclosed |
| US-8481778-B2 | Process for the preparation of esters of 4-fluorosubstituted 3-oxo-alcanoic acids | SOLVAY (SOCIETE ANONYME) (BE) | 2013-07-09 | — | — | US | disclosed |
| EP-2398759-A2 | COMPOSITIONS OF ESTERS OF FLUOROSUBSTITUTED ALCANOIC ACIDS | Solvay Fluor GmbH (DE) | 2011-12-28 | — | — | EP | disclosed |
| US-20110301378-A1 | Process for the preparation of esters of 4-fluorosubstituted 3-oxo-alcanoic acids | SOLVAY (SOCIETE ANONYME) (BE) | 2011-12-08 | — | — | US | disclosed |
| US-20110297883-A1 | Compositions of esters of fluorosubstituted alcanoic acids | SOLVAY FLUOR GMBH (DE) | 2011-12-08 | — | — | US | disclosed |
| WO-2010094746-A2 | COMPOSITIONS OF ESTERS OF FLUOROSUBSTITUTED ALCANOIC ACIDS | SOLVAY FLUOR GMBH (DE) | 2010-08-26 | — | — | WO | disclosed |
| EP-2181087-A1 | PROCESS FOR THE PREPARATION OF ESTERS OF 4-FLUOROSUBSTITUTED 3-OXO-ALCANOIC ACIDS | SOLVAY (Société Anonyme) (BE) | 2010-05-05 | — | — | EP | disclosed |
| WO-2009021987-A1 | PROCESS FOR THE PREPARATION OF ESTERS OF 4-FLUOROSUBSTITUTED 3-OXO-ALCANOIC ACIDS | Solvay (Société Anonyme) (BE) | 2009-02-19 | — | — | WO | disclosed |
| US-5179121-A | Pesticides | CIBA-GEIGY CORPORATION (US) | 1993-01-12 | — | — | US | disclosed |
| CN-1059140-A | THIOBUTYRIC ACID DERIVATIVES | CIBA GEIGY AG (CH) | 1992-03-04 | — | — | CN | disclosed |