SCHEMBL18280667

SCHEMBL18280667

C=C(C)C(=S)OCCCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
GAA P10253 1/20 0.37
TSHR P16473 4/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA4 P43681 1/20 0.32
LMNA P02545 1/20 0.31
RAD52 P43351 1/20 0.31
HRH3 Q9Y5N1 2/20 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
SCHEMBL1275671 0.88 CA12 (0.52) CA12CA1CA2CA9GAA
SCHEMBL22292736 0.79 GAA (0.39) CA12CA1CA2CA9GAA
SCHEMBL8071555 0.79 GAA (0.41) CA12CA1CA2CA9GAA
SCHEMBL610598 0.79 CA12 (0.45) CA12CA1CA2CA9GAA
SCHEMBL6392989 0.77 TSHR (0.48) CA12CA1CA2CA9TSHR
SCHEMBL14464112 0.76 CA12 (0.46) CA12CA1CA2CA9GAA
SCHEMBL112006 0.76 TSHR (0.58) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
Bromide SCHEMBL1254033 0.74 TSHR (0.56) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL1254834 0.74 TSHR (0.56) GAATSHRALDH1A1L3MBTL1SMN1; SMN2
Fluoride SCHEMBL1254048 0.74 TSHR (0.56) GAATSHRALDH1A1L3MBTL1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407527-B2 Charge-shifting polymers for tissue compatible hydrogels MCMASTER UNIVERSITY (CA) 2019-09-10 US claimed
US-20160355627-A1 CHARGE-SHIFTING POLYMERS FOR TISSUE COMPATIBLE HYDROGELS MCMASTER UNIVERSITY (CA) 2016-12-08 US claimed
US-10407527-B2 Charge-shifting polymers for tissue compatible hydrogels MCMASTER UNIVERSITY (CA) 2019-09-10 US disclosed
US-20160355627-A1 CHARGE-SHIFTING POLYMERS FOR TISSUE COMPATIBLE HYDROGELS MCMASTER UNIVERSITY (CA) 2016-12-08 US disclosed