SCHEMBL7703544

SCHEMBL7703544

CC(=O)CC(=O)OCC=CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7396674 1.00 MGAM (0.40) MGAMGAASIMGAM2
SCHEMBL27591903 0.81 MGAM (0.40) MGAMGAASIMGAM2
SCHEMBL16230001 0.81 NAAA (0.35)
SCHEMBL4326496 0.80 ALDH1A1 (0.37) GAA
SCHEMBL13596594 0.80 ALDH1A1 (0.37) GAA
SCHEMBL27098403 0.79
SCHEMBL27657768 0.77 MGAM (0.43) MGAMGAASIMGAM2
SCHEMBL6445001 0.76 MGAM (0.46) MGAMGAASIMGAM2
SCHEMBL5227698 0.76 MGAM (0.46) MGAMGAASIMGAM2
SCHEMBL6444996 0.76 MGAM (0.46) MGAMGAASIMGAM2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-208726934-U One kind is for producing 4,4,4- trifluorobutene acetoacetic ester centrifugation Multistage filtering device 南京齐正化学有限公司 2019-04-12 CN claimed
CN-103113249-B Synthetic method of 3-amino-4,4,4-trifluorine ethyl crotonate SHANGYU SUNFIT CHEMICAL CO LTD 2015-06-03 CN claimed
CN-208726934-U One kind is for producing 4,4,4- trifluorobutene acetoacetic ester centrifugation Multistage filtering device 南京齐正化学有限公司 2019-04-12 CN disclosed
CN-208726934-U One kind is for producing 4,4,4- trifluorobutene acetoacetic ester centrifugation Multistage filtering device 南京齐正化学有限公司 2019-04-12 CN disclosed
CN-208726934-U One kind is for producing 4,4,4- trifluorobutene acetoacetic ester centrifugation Multistage filtering device 南京齐正化学有限公司 2019-04-12 CN disclosed
CN-109096108-A The synthetic method of 4,4,4- trifluorobutene acid esters 中国石油化工股份有限公司 2018-12-28 CN disclosed
CN-108290881-A Therapeutic compounds and methods of use thereof 健泰科生物技术公司 2018-07-17 CN disclosed
CN-103119038-B As 4-(5-isoxazolyl or 5-pyrazolyl-1,2, the 4-oxadiazolyl-3-yl) mandelic acidamide of S1P 1 receptor stimulating agent BRISTOL-MYERS SQUIBB CO. (US) 2016-05-04 CN disclosed
CN-103113249-B Synthetic method of 3-amino-4,4,4-trifluorine ethyl crotonate SHANGYU SUNFIT CHEMICAL CO LTD 2015-06-03 CN disclosed
CN-103298807-A Heterocyclic compounds as S1P1 agonists for the treatment of autoimmune and vascular diseases BRISTOL MYERS SQUIBB CO 2013-09-11 CN disclosed
CN-103119038-A 4 - (5 - isoxazolyl or 5 - pyrrazolyl -1,2,4- oxadiazol - 3 - yl) -mandelic acid amides as sphingosin- 1 - phosphate 1 rreceptor agonists BRISTOL MYERS SQUIBB CO 2013-05-22 CN disclosed
CN-102548989-A Sphingosine-1-phosphate receptor agonists BRISTOL MYERS SQUIBB CO 2012-07-04 CN disclosed
US-6498180-B1 SUCH AS 2-(3'-HYDROXYMETHYL-2'-CARBOXYCYCLOPROPYL)GLYCINE; MODULATING METABOTROPIC GLUTAMATE RECEPTOR; TREATING DISORDERS OF CENTRAL NERVOUS ELI LILLY AND COMPANY 2002-12-24 US disclosed