SCHEMBL17313541

SCHEMBL17313541

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5087493 0.79 TSHR (0.43) TSHRSMN1; SMN2
SCHEMBL5694699 0.77 HIF1A (0.39) TSHRSMN1; SMN2ALDH1A1
SCHEMBL277793 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10970063 0.73
SCHEMBL13873167 0.73 TSHR (0.46) TSHRSMN1; SMN2
SCHEMBL10063343 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28140181 0.71 ALDH1A1 (0.46) TSHRSMN1; SMN2ALDH1A1
SCHEMBL14215413 0.71
SCHEMBL2003538 0.70 HIF1A (0.33) TSHRSMN1; SMN2ALDH1A1
SCHEMBL6544702 0.70 ALDH1A1 (0.38) TSHRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834657-B2 Polyester compositions LANXESS DEUTSCHLAND, GMBH (DE) 2017-12-05 US disclosed
US-20150353704-A1 POLYESTER COMPOSITIONS LANXESS DEUTSCHLAND GMBH (DE) 2015-12-10 US disclosed