SCHEMBL1644327

SCHEMBL1644327

C=CCS(=O)(=O)OC(=O)C=C.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.35
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 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
SCHEMBL11667235 0.98 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21823211 0.87 MAPT (0.32)
SCHEMBL2178902 0.84 MAPT (0.33)
SCHEMBL5873253 0.83 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL149403 0.80 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8498695 0.78 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL151093 0.77 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5873249 0.77 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2337505 0.77
SCHEMBL11430477 0.76 ALDH1A1 (0.32) TSHRALDH1A1

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-9415350-B2 Method of forming a rewettable asymmetric membrane 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-08-16 US disclosed
US-20110094960-A1 METHOD OF FORMING A REWETTABLE ASYMMETRIC MEMBRANE 3M INNOVATIVE PROPERTIES COMPANY 2011-04-28 US disclosed