SCHEMBL12501944

SCHEMBL12501944

CCC(O)CC/C=C/CCC(O)CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL12501946 1.00 TSHR (0.32) TSHRNFKB1NFKB2RELA
SCHEMBL8532417 0.84 LNPEP (0.31) NFKB1NFKB2RELA
SCHEMBL17464875 0.84 TSHR (0.40) TSHR
SCHEMBL17629680 0.80 PPARG (0.33)
SCHEMBL17629679 0.80 PPARG (0.33)
SCHEMBL5907120 0.80 ANPEP (0.30)
SCHEMBL28157568 0.79 TSHR (0.36) TSHR
SCHEMBL3924242 0.79 ALDH1A1 (0.35) TSHRNFKB1NFKB2RELA
SCHEMBL3924248 0.79 ALDH1A1 (0.35) TSHRNFKB1NFKB2RELA
SCHEMBL8528749 0.76

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-10011664-B2 Functionalized nitrile rubbers and the production thereof ARLANXEO DEUTSCHLAND GMBH (DE) 2018-07-03 US disclosed
US-20170190806-A1 FUNCTIONALISED NITRILE RUBBERS AND THE PRODUCTION THEREOF LANXESS DEUTSCHLAND GMBH (DE) 2017-07-06 US disclosed
EP-2670782-A1 FUNCTIONALISED NITRILE RUBBERS AND THE PRODUCTION THEREOF LANXESS Deutschland GmbH (DE) 2013-12-11 EP disclosed
WO-2012104183-A1 FUNCTIONALISED NITRILE RUBBERS AND THE PRODUCTION THEREOF LANXESS DEUTSCHLAND GMBH (DE) 2012-08-09 WO disclosed