SCHEMBL10970971

SCHEMBL10970971

C=C(CC(C)(C)C(=O)OCCCO)C(=O)OCCCO

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
TSHR P16473 2/20 0.35

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
SCHEMBL5885496 0.90 CYP4F2 (0.35) CYP4F2CYP4A11TSHR
SCHEMBL1225944 0.87 TSHR (0.46) CYP4F2CYP4A11TSHR
SCHEMBL21906607 0.82 CYP4F2 (0.42) CYP4F2CYP4A11TSHR
SCHEMBL17148450 0.76 CYP4F2 (0.31) CYP4F2CYP4A11TSHR
SCHEMBL11368901 0.76 CYP4F2 (0.48) CYP4F2CYP4A11
SCHEMBL5936572 0.75
SCHEMBL2754859 0.74 CYP4F2 (0.52) CYP4F2CYP4A11TSHR
SCHEMBL5709205 0.74 TSHR (0.46) CYP4F2CYP4A11TSHR
SCHEMBL22475307 0.74 TSHR (0.41) TSHR
SCHEMBL3503337 0.74 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4547323-A Synthesis of 2,2-dimethyl-4-methyleneglutaric acid and derivatives SCM CORPORATION (US) 1985-10-15 US claimed