SCHEMBL4992952

SCHEMBL4992952

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.c1ccc2cc([S+]3CCCC3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 6/20 0.32
CA2 P00918 6/20 0.32
LMNA P02545 2/20 0.31
PKM P14618 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD11B1 P28845 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
SCHEMBL4997238 0.99 MCOLN3 (0.35) MCOLN3TSHRMEN1KMT2ACA1
SCHEMBL5002022 0.87 GPR3 (0.31) LMNAPKMHTTSMN1; SMN2
SCHEMBL5002041 0.86 TSHR (0.32) TSHR
SCHEMBL4996571 0.86 AKR1C3 (0.32) CA1CA2
SCHEMBL5002053 0.85 MEN1 (0.41) TSHRMEN1KMT2ACA2LMNA
SCHEMBL2901807 0.84 CA2 (0.35) CA1CA2
SCHEMBL4994083 0.84 CNR2 (0.31) CA1CA2
SCHEMBL2904052 0.83 CA1 (0.34) CA1CA2
SCHEMBL4997138 0.83 LMNA (0.32) LMNAHTT
SCHEMBL4996366 0.82

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
US-7371503-B2 Sulfonium salt compound, photoacid generator, and positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2008-05-13 US disclosed
US-20060141383-A1 Sulfonium salts, radiation- sensitive acid generators, and positive radiator-sensitive resin compositions JSR CORPORATION (JP) 2006-06-29 US disclosed
EP-1586570-A1 SULFONIUM SALTS, RADIATION-SENSITIVE ACID GENERATORS, AND POSITIVE RADIATION-SENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2005-10-19 EP disclosed