SCHEMBL2232029

SCHEMBL2232029

C=CC(=O)N(C(CC)[AsH]C)C(CC)[AsH]C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL429457 0.72 TSHR (0.42) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL588653 0.72 TSHR (0.37) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL7943792 0.71 ALDH1A1 (0.36) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL157071 0.71 TSHR (0.39) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL9004322 0.69 ALDH1A1 (0.34) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL15841446 0.69 TSHR (0.38) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL4781625 0.66 TSHR (0.39) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL11404332 0.65 TSHR (0.34) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL589046 0.65 TSHR (0.34) ALDH1A1TSHRZDHHC20ZDHHC2
SCHEMBL648953 0.64 ZDHHC20 (0.41) TSHRZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6228135-B1 Purification of very slightly contaminated air within a clean room EBARA CORPORATION (JP) 2001-05-08 US claimed
EP-2344517-A1 TEMPERATURE-RESPONSIVE POLYMER PARTICLES IN PROTEIN SEPARATION APPLICATIONS Commonwealth Scientific and Industrial Research Organisation (AU) 2011-07-20 EP disclosed
WO-2010031144-A1 TEMPERATURE-RESPONSIVE POLYMER PARTICLES IN PROTEIN SEPARATION APPLICATIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2010-03-25 WO disclosed
EP-1877622-A2 HIGH MOLECULAR WEIGHT COMPACT STRUCTURED POLYMERS, METHODS OF MAKING AND USING Nalco Company (US) 2008-01-16 EP disclosed
WO-2006118875-A2 HIGH MOLECULAR WEIGHT COMPACT STRUCTURED POLYMERS, METHODS OF MAKING AND USING NALCO COMPANY (US) 2006-11-09 WO disclosed