SCHEMBL31542009

SCHEMBL31542009

CCCCOS(=O)(=O)OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.48
CA2 P00918 12/20 0.48
CA9 Q16790 9/20 0.42
CA12 O43570 4/20 0.41
CA7 P43166 4/20 0.41
CA14 Q9ULX7 3/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
TSHR P16473 3/20 0.39
RECQL P46063 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL29875441 0.87 CA1 (0.44) CA1CA2CA9CA12CA7
SCHEMBL27202272 0.81 CA1 (0.32) CA1CA2CA9CA12CA7
SCHEMBL9980795 0.81 CA1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL19733 0.79 CA1 (0.64) CA1CA2CA9CA12CA7
SCHEMBL28123592 0.79 CA1 (0.64) CA1CA2CA9CA12CA7
SCHEMBL16108599 0.79 CA1 (0.64) CA1CA2CA9CA12CA7
SCHEMBL8663811 0.79 CA1 (0.31) CA1CA2CA9TSHRKDM4E
SCHEMBL778534 0.78 CA1 (0.40) CA1CA2CA9
SCHEMBL16108598 0.77 CA1 (0.61) CA1CA2CA9CA12CA7
SCHEMBL31554254 0.77 CA1 (0.61) CA1CA2CA9CA12CA7

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-113874426-B Water-soluble film and package 株式会社可乐丽 2025-03-28 CN disclosed