SCHEMBL5138302

SCHEMBL5138302

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

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1861791 0.78
SCHEMBL5375610 0.74
SCHEMBL28714711 0.70 TSHR (0.30) TSHRSMN1; SMN2
SCHEMBL7692466 0.67 ADH1B (0.33) TSHR
SCHEMBL5138297 0.67 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL11222088 0.67
SCHEMBL5383444 0.67
SCHEMBL3035103 0.65 TDP1 (0.39) TSHRSMN1; SMN2
SCHEMBL12939050 0.65 TSHR (0.35) TSHR
SCHEMBL17525873 0.65 TSHR (0.35) 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
WO-2008084046-A1 PLASTICIZERS FOR POLYVINYL ACETALS AND POLYSULFIDES BASF SE (DE) 2008-07-17 WO disclosed