SCHEMBL29199307

SCHEMBL29199307

O=C(O)C(O)CC(F)(F)F.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TET2 Q6N021 6/20 0.39
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
TET3 O43151 2/20 0.39
HTT P42858 1/20 0.36
TET1 Q8NFU7 1/20 0.36
GPR84 Q9NQS5 3/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
FFAR1 O14842 1/20 0.33
TSHR P16473 2/20 0.32
CYP2C9 P11712 1/20 0.31

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
SCHEMBL1623537 0.97 OR51E2 (0.46) OR51E2SMN1; SMN2TET2KDM4AKDM4C
SCHEMBL14783031 0.75 HTT (0.35) OR51E2TET2HTTTSHR
SCHEMBL18634509 0.74 TET2 (0.50) OR51E2SMN1; SMN2TET2KDM4AKDM4C
SCHEMBL15619373 0.74 TET2 (0.50) OR51E2SMN1; SMN2TET2KDM4AKDM4C
SCHEMBL14533958 0.74 HTT (0.36) HTT
SCHEMBL14533959 0.74 HTT (0.36) HTT
SCHEMBL15717565 0.74 HTT (0.36) HTT
SCHEMBL27576207 0.73 OR51E2 (0.39) OR51E2SMN1; SMN2TET2KDM4AKDM4C
SCHEMBL19825149 0.72 CHRM1 (0.38) HTT
SCHEMBL11873875 0.70 OR51E2 (0.46) OR51E2SMN1; SMN2TET2KDM4AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946153-A Synthesis method of 3, 3-trifluoro lactic acid 四川富华信新材料科技有限公司 2024-04-30 CN disclosed