SCHEMBL3097090

SCHEMBL3097090

C=CC(=O)Oc1c(OCC)cc(Sc2cc(OCC)c(OC(=O)C=C)c(OCC)c2OCC)c(OCC)c1OCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
THRB P10828 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GLA P06280 1/20 0.35
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP1B1 Q16678 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 1/20 0.34
THRA P10827 1/20 0.34
EGFR P00533 1/20 0.33
CYP3A4 P08684 1/20 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
SCHEMBL3113313 0.89 TSHR (0.39) TSHRLMNAHTTTHRBGAA
SCHEMBL27709025 0.89 TSHR (0.39) TSHRLMNAHTTTHRBGAA
SCHEMBL3109455 0.88 TSHR (0.38) TSHRLMNAHTTTHRBGAA
SCHEMBL27666955 0.86 TSHR (0.40) TSHRLMNAHTTTHRBGAA
SCHEMBL27788058 0.85 TSHR (0.40) TSHRLMNAHTTGAASMN1; SMN2
SCHEMBL27666954 0.82 TSHR (0.42) TSHRLMNAHTTTHRBGAA
SCHEMBL28110850 0.81 TSHR (0.46) TSHRLMNAHTTTHRBGAA
SCHEMBL3100065 0.81 TSHR (0.41) TSHRLMNAHTTGAASMN1; SMN2
SCHEMBL6053983 0.80 TSHR (0.40) TSHRLMNAHTTTHRBGAA
SCHEMBL9297245 0.80 THRB (0.44) TSHRLMNAHTTTHRBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384895-C Actinic-energy-ray-curable composition for optical material TOAGOSEI CO LTD (JP) 2008-04-30 CN claimed
US-7799844-B2 Active energy beam-curable composition for optical material TOAGOSEI CO., LTD. (JP) 2010-09-21 US disclosed
US-7754781-B2 Active energy beam-curable composition TOAGOSEI CO., LTD. (JP) 2010-07-13 US disclosed
CN-100551934-C The composition of active energy ray-curable TOAGOSEI CO LTD (JP) 2009-10-21 CN disclosed
US-20080194727-A1 Active Energy Beam-Curable Composition TOAGOSEI CO., LTD. (JP) 2008-08-14 US disclosed
CN-100384895-C Actinic-energy-ray-curable composition for optical material TOAGOSEI CO LTD (JP) 2008-04-30 CN disclosed
CN-101128490-A Active energy ray-curable composition TOAGOSEI CO LTD (JP) 2008-02-20 CN disclosed
EP-1857469-A1 ACTIVE ENERGY RAY-CURABLE COMPOSITION TOAGOSEI CO., LTD. (JP) 2007-11-21 EP disclosed
US-20070043143-A1 Active energy beam-curable composition for optical material THOMSON LICENSING (FR) 2007-02-22 US disclosed
CN-1875041-A Actinic-energy-ray-curable composition for optical material TOAGOSEI CO LTD (JP) 2006-12-06 CN disclosed