SCHEMBL28655535

SCHEMBL28655535

O=C(O)C1OC(F)(F)OC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SUCNR1 Q9BXA5 1/20 0.45
IDUA P35475 1/20 0.32

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
SCHEMBL7569151 0.73 SUCNR1 (0.47) KDM4EALDH1A1SUCNR1
SCHEMBL7564729 0.73 SUCNR1 (0.47) KDM4EALDH1A1SUCNR1
SCHEMBL7564372 0.73 SUCNR1 (0.47) KDM4EALDH1A1SUCNR1
SCHEMBL27159744 0.71 SUCNR1 (0.45) KDM4EALDH1A1SUCNR1
SCHEMBL10473227 0.71 SUCNR1 (0.45) KDM4EALDH1A1SUCNR1
SCHEMBL1595065 0.71 SUCNR1 (0.45) KDM4EALDH1A1SUCNR1
SCHEMBL1595064 0.71 SUCNR1 (0.45) KDM4EALDH1A1SUCNR1
SCHEMBL1727954 0.71 SUCNR1 (0.45) KDM4EALDH1A1SUCNR1
SCHEMBL2807413 0.67 KDM4E (1.00) KDM4EALDH1A1SUCNR1
SCHEMBL28438969 0.65 SUCNR1 (0.39) KDM4EALDH1A1SUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620925-B Synthetic method of fluorine-containing monomer 2, 2-difluoro-4, 5-bis (trifluoromethyl) -1, 3-dioxyheterocycle 四川轻化工大学 2022-04-15 CN claimed
CN-113620925-A Synthetic method of fluorine-containing monomer 2, 2-difluoro-4, 5-bis (trifluoromethyl) -1, 3-dioxyheterocycle 四川轻化工大学 2021-11-09 CN claimed
CN-113620925-B Synthetic method of fluorine-containing monomer 2, 2-difluoro-4, 5-bis (trifluoromethyl) -1, 3-dioxyheterocycle 四川轻化工大学 2022-04-15 CN disclosed
CN-113620925-A Synthetic method of fluorine-containing monomer 2, 2-difluoro-4, 5-bis (trifluoromethyl) -1, 3-dioxyheterocycle 四川轻化工大学 2021-11-09 CN disclosed