SCHEMBL3670346

SCHEMBL3670346

CCCC(c1ccccc1S)C(N)CC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CSNK1E P49674 1/20 0.31
AOC3 Q16853 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
FFAR1 O14842 1/20 0.30
GPR84 Q9NQS5 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
SCHEMBL3672875 0.86 TSHR (0.32) TSHRCSNK1EAOC3FFAR1GPR84
SCHEMBL3668717 0.84 CYP2D6 (0.33) TSHRAOC3SIGMAR1FFAR1GPR84
SCHEMBL3675441 0.77 AOC3 (0.34) TSHRCSNK1EAOC3SIGMAR1FFAR1
SCHEMBL3671138 0.76 TSHR (0.39) TSHRSIGMAR1
SCHEMBL6543318 0.76 AOC3 (0.44) AOC3
SCHEMBL15105217 0.73 TSHR (0.36) TSHRAOC3SIGMAR1FFAR1GPR84
SCHEMBL3672924 0.72 TSHR (0.39) TSHRSIGMAR1
SCHEMBL14864537 0.72 TSHR (0.43) TSHRAOC3FFAR1GPR84
SCHEMBL9629227 0.69 FFAR1 (0.33) TSHRAOC3FFAR1GPR84
SCHEMBL10455676 0.69 TSHR (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed