SCHEMBL4894720

SCHEMBL4894720

F[B-](F)(F)F.F[B-](F)(F)F.Fc1cc(F)c(F)c(F)c1F.Fc1cc(F)c(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL5197763 1.00 CA1 (0.38) CA1CA2CA4CA12CA7
SCHEMBL14118262 0.97 CA1 (0.36) CA1CA2CA4CA12CA7
SCHEMBL1493034 0.97 CA1 (0.36) CA1CA2CA4CA12CA7
SCHEMBL41646 0.89 CA1 (0.43) CA1CA2CA4CA12CA7
SCHEMBL7702552 0.89 CA1 (0.43) CA1CA2CA4CA12CA7
SCHEMBL23589702 0.85 CA1 (0.41) CA1CA2CA4CA12CA7
SCHEMBL31540317 0.85 CA1 (0.41) CA1CA2CA4CA12CA7
SCHEMBL29061953 0.85 CA1 (0.41) CA1CA2CA4CA12CA7
Hydrochloric Acid SCHEMBL28518504 0.85 CA1 (0.41) CA1CA2CA4CA12CA7
Bromide SCHEMBL6247121 0.85 CA1 (0.41) CA1CA2CA4CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080044149-A1 Polymerizable Composition TOYO INK MFG. CO., LTD. (JP) 2008-02-21 US disclosed
EP-1816152-A1 POLYMERIZABLE COMPOSITION TOYO INK MFG. CO., LTD. (JP) 2007-08-08 EP disclosed