SCHEMBL5138294

SCHEMBL5138294

CCCC(C=O)C(C)(C)CC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8658587 0.78
SCHEMBL2761609 0.78
SCHEMBL2847344 0.73 TSHR (0.34) TSHRSMN1; SMN2
SCHEMBL855391 0.73 TSHR (0.34) TSHRSMN1; SMN2
SCHEMBL3147863 0.71 ALDH1A1 (0.36)
SCHEMBL28029670 0.71 PGD (0.34) SMN1; SMN2
SCHEMBL30500280 0.70 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL5364614 0.67
SCHEMBL3039503 0.67
SCHEMBL5138293 0.67 TSHR (0.48) TSHRSMN1; SMN2

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
WO-2008084046-A1 PLASTICIZERS FOR POLYVINYL ACETALS AND POLYSULFIDES BASF SE (DE) 2008-07-17 WO disclosed