SCHEMBL3989018

SCHEMBL3989018

CN(C)C(=O)CS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 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
SCHEMBL27892095 0.80 POLB (0.43) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL21872358 0.78 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL12916975 0.76 ALDH1A1 (0.42) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL13436390 0.76 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL13974209 0.76 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL18924022 0.74 ALDH1A1 (0.40) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL8700656 0.74
SCHEMBL501589 0.72 TSHR (0.30) TSHR
SCHEMBL12916989 0.72 ALDH1A1 (0.34) ALDH1A1
SCHEMBL21872024 0.72 CHRNB2 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609677-B2 Molecules for the photodynamic treatment of tumors and hyperplasias Yagna Limited (GB) 2013-12-17 US claimed
US-20130226136-A1 Molecules for the Photodynamic Treatment of Tumors and Hyperplasias HUMANITARIAN SCIENTIFIC LLC 2013-08-29 US claimed
US-8410125-B2 Sulfonated precursors of thymidine for the treatment of epithelial hyperplasias Yagna Limited (GB) 2013-04-02 US claimed
US-20110053965-A1 SULFONATED PRECURSORS OF THYMIDINE FOR THE TREATMENT OF EPITHELIAL HYPERPLASIAS ASKLEPIUS LIMITED (GB) 2011-03-03 US claimed
WO-2009060186-A1 SULFONATED PRECURSORS OF THYMIDINE FOR THE TREATMENT OF EPITHELIAL HYPERPLASIAS ASKLEPUIS LIMITED (GB) 2009-05-14 WO claimed
US-8609677-B2 Molecules for the photodynamic treatment of tumors and hyperplasias Yagna Limited (GB) 2013-12-17 US disclosed
US-20130226136-A1 Molecules for the Photodynamic Treatment of Tumors and Hyperplasias HUMANITARIAN SCIENTIFIC LLC 2013-08-29 US disclosed
US-8410125-B2 Sulfonated precursors of thymidine for the treatment of epithelial hyperplasias Yagna Limited (GB) 2013-04-02 US disclosed
US-20110053965-A1 SULFONATED PRECURSORS OF THYMIDINE FOR THE TREATMENT OF EPITHELIAL HYPERPLASIAS ASKLEPIUS LIMITED (GB) 2011-03-03 US disclosed
WO-2009060186-A1 SULFONATED PRECURSORS OF THYMIDINE FOR THE TREATMENT OF EPITHELIAL HYPERPLASIAS ASKLEPUIS LIMITED (GB) 2009-05-14 WO disclosed