SCHEMBL448478

SCHEMBL448478

CC=C(C)C(=O)OC(C)C.[Ti]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
HCAR2 Q8TDS4 1/20 0.38
ADRA1A P35348 1/20 0.38
PDE4D Q08499 1/20 0.38
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTP4A3 O75365 1/20 0.32
PTP4A2 Q12974 1/20 0.32
PTP4A1 Q93096 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA12 O43570 3/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA7 P43166 3/20 0.30
CA9 Q16790 3/20 0.30
CA14 Q9ULX7 3/20 0.30
LMNA P02545 2/20 0.30
MEN1 O00255 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
SCHEMBL1532594 0.97 TSHR (0.50) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL666918 0.97 TSHR (0.50) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL13613127 0.97 TSHR (0.50) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL3338061 0.95 TSHR (0.48) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL10948804 0.82 TSHR (0.38) TSHRHCAR2MAPT
SCHEMBL2598286 0.80 TSHR (0.48) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL10687993 0.80 TSHR (0.48) TSHRHCAR2ADRA1APDE4DGAA
SCHEMBL17472929 0.80 TSHR (0.36) TSHR
SCHEMBL173350 0.80 TSHR (0.36) TSHR
SCHEMBL173352 0.80 TSHR (0.36) TSHR

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-8852840-B2 Magnetic composite particles, magnetic carrier and developer TODA KOGYO CORPORATION (JP) 2014-10-07 US disclosed
US-20120064448-A1 MAGNETIC COMPOSITE PARTICLES, MAGNETIC CARRIER AND DEVELOPER TODA KOGYO CORPORATION (JP) 2012-03-15 US disclosed
EP-2416220-A1 MAGNETIC COMPOSITE PARTICLES, MAGNETIC CARRIER, AND DEVELOPER Toda Kogyo Corporation (JP) 2012-02-08 EP disclosed