SCHEMBL6723485

SCHEMBL6723485

O=C(CC(S)C1CCCCC1)C1CCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.30
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL6726326 1.00 CA2 (0.30) CA2F2PRSS1PRSS2PRSS3
SCHEMBL6734012 0.99
SCHEMBL6725749 0.99
SCHEMBL6726185 0.84
SCHEMBL6731920 0.84 F2 (0.32) F2PRSS1PRSS2PRSS3
SCHEMBL6736711 0.83 PDK1 (0.31) F2PRSS1PRSS2PRSS3
SCHEMBL6728555 0.83 CA1 (0.30) CA2
SCHEMBL6727459 0.83 CA2 (0.30) CA2
SCHEMBL6730728 0.81 CA1 (0.31) CA2
SCHEMBL6726513 0.78 EPHX1 (0.41)

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
US-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed