SCHEMBL3744653

SCHEMBL3744653

C=CCOc1ccccc1.[Na].[Na]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
AOC3 Q16853 1/20 0.52
KCNA3 P22001 1/20 0.48
BCHE P06276 1/20 0.46
FGFR1 P11362 1/20 0.45
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL31591236 1.00 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL16371575 0.98 AOC3 (0.54) CA12CA1CA2CA7CA9
SCHEMBL88417 0.98 AOC3 (0.54) CA12CA1CA2CA7CA9
SCHEMBL28143139 0.95 AOC3 (0.52) CA12CA1CA2CA7CA9
Water SCHEMBL1169336 0.95 AOC3 (0.52) CA12CA1CA2CA7CA9
Ethylene SCHEMBL173233 0.95 AOC3 (0.52) CA12CA1CA2CA7CA9
Hydrogen Sulfide SCHEMBL5394729 0.95 AOC3 (0.52) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL27510681 0.95 AOC3 (0.52) CA12CA1CA2CA7CA9
SCHEMBL28204668 0.95 AOC3 (0.52) CA12CA1CA2CA7CA9
SCHEMBL3730541 0.95 AOC3 (0.52) CA12CA1CA2CA7CA9

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-7671129-B2 thermoplastic resin blends demonstrating impact strength, nonhydrolyzing and resist to heat discoloration; co-monomers including methylmethacrylate, butadiene MITSUBISHI RAYON CO., LTD. (JP) 2010-03-02 US disclosed
US-20060217496-A1 Thermoplastic resin composition MITSUBISHI RAYON CO., LTD. (JP) 2006-09-28 US disclosed
EP-1602690-A1 THERMOPLASTIC RESIN COMPOSITION Mitsubishi Rayon Co., Ltd. (JP) 2005-12-07 EP disclosed