SCHEMBL2587470

SCHEMBL2587470

CC(C)(CCl)OOC(C)(C)CCl

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL11000839 0.90 TSHR (0.50) TSHRTDP1
SCHEMBL11009237 0.83
SCHEMBL8742563 0.80 ALDH1A1 (0.32) TSHRTDP1ALDH1A1
SCHEMBL11299518 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8443596 0.74
SCHEMBL8740215 0.72
SCHEMBL319954 0.72
SCHEMBL12955942 0.69
SCHEMBL11103399 0.67
SCHEMBL8558260 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883935-B2 High refractive index composition BATTELLE MEMORIAL INSTITUTE (US) 2014-11-11 US disclosed
EP-2563826-A2 HIGH REFRACTIVE INDEX COMPOSITION Battelle Memorial Institute (US) 2013-03-06 EP disclosed
US-20130046054-A1 HIGH REFRACTIVE INDEX COMPOSITION BATTELLE MEMORIAL INSTITUTE (US) 2013-02-21 US disclosed
WO-2011139856-A2 HIGH REFRACTIVE INDEX COMPOSITION BATTELLE MEMORIAL INSTITUTE (US) 2011-11-10 WO disclosed