SCHEMBL8600469

SCHEMBL8600469

COC(=O)C(OC)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.39
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8600304 0.79 ALDH1A1 (0.39) ACHESMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL8597614 0.78 ACHE (0.44) ACHESMN1; SMN2CA1CA2KMT2A
SCHEMBL15094167 0.78 ACHE (0.41) ACHESMN1; SMN2CA1CA2KMT2A
SCHEMBL9196637 0.77 SLC1A3 (0.36) ACHE
SCHEMBL6932001 0.77 SLC1A3 (0.36) ACHE
SCHEMBL21916633 0.77 ALDH1A1 (0.32) ACHEALDH1A1
SCHEMBL6931998 0.77 SLC1A3 (0.36) ACHE
SCHEMBL8595237 0.76 HCAR2 (0.34) ACHECA1CA2ALDH1A1
SCHEMBL21881710 0.75 ACHE (0.31) ACHE
SCHEMBL6289513 0.75 ACHE (0.31) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592669-B1 OPTICALLY ACTIVE TRIFLUOROLACTIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 1998-01-28 EP disclosed
US-5665270-A Optically active trifluorolactic acid derivative and liquid crystal composition CHISSO CORPORATION (JP) 1997-09-09 US disclosed
EP-0592669-A1 OPTICALLY ACTIVE TRIFLUOROLACTIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1994-04-20 EP disclosed