SCHEMBL17440169

SCHEMBL17440169

CCCCCOO[Si](O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
THRB P10828 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
LPAR3 Q9UBY5 6/20 0.37
LPAR2 Q9HBW0 5/20 0.37
LPAR1 Q92633 2/20 0.37
NAAA Q02083 1/20 0.37
CES2 O00748 1/20 0.35
GBA1 P04062 1/20 0.35
EPHX1 P07099 1/20 0.34
TSHR P16473 2/20 0.33

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
SCHEMBL28367447 0.98 THRB (0.41) CA12CA1CA2CA9THRB
SCHEMBL169603 0.81
SCHEMBL14693734 0.79 THRB (0.37) CA12CA1CA2CA9THRB
SCHEMBL23440219 0.77 TSHR (0.39) CA12CA1CA2CA9THRB
SCHEMBL28699154 0.77 THRB (0.42) CA12CA1CA2CA9THRB
SCHEMBL30673970 0.76 GBA1 (0.38) CA12CA1CA2CA9THRB
SCHEMBL30094 0.74 THRB (0.50) CA12CA1CA2CA9THRB
SCHEMBL28285588 0.74 THRB (0.50) CA12CA1CA2CA9THRB
SCHEMBL75709 0.74 CA1 (0.41) CA12CA1CA2CA9THRB
SCHEMBL25191483 0.72 THRB (0.44) CA12CA1CA2CA9THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109280412-B Intumescent composition 阿克佐诺贝尔国际涂料股份有限公司 2021-02-09 CN claimed
CN-109280412-B Intumescent composition 阿克佐诺贝尔国际涂料股份有限公司 2021-02-09 CN disclosed
WO-2016011032-A1 SOLID SORBENT MATERIALS FOR ACID-GAS SEPARATION RESEARCH TRIANGLE INSTITUTE (US) 2016-01-21 WO disclosed
CN-100560356-C A kind of organic and inorganic ordered laminated materials and preparation method thereof UNIV TAIYUAN TECHNOLOGY (CN) 2009-11-18 CN disclosed
CN-100560356-C A kind of organic and inorganic ordered laminated materials and preparation method thereof UNIV TAIYUAN TECHNOLOGY (CN) 2009-11-18 CN disclosed