SCHEMBL3740978

SCHEMBL3740978

CSCCSCCCSCCSC

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
TRPA1 O75762 1/20 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
SCHEMBL3069312 0.93 TRPA1 (0.36) TDP1TRPA1
SCHEMBL3070831 0.89 TRPA1 (0.38) TDP1TRPA1
SCHEMBL3071359 0.89 TRPA1 (0.38) TDP1TRPA1
SCHEMBL3081957 0.89
SCHEMBL3081235 0.89 TDP1 (0.37) TDP1
SCHEMBL9231789 0.84 CA2 (0.38)
SCHEMBL14471328 0.84 CA2 (0.38)
SCHEMBL9231791 0.84 CA2 (0.38)
SCHEMBL5235323 0.84
SCHEMBL14700345 0.82 TDP1 (0.40) TDP1

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-7968673-B2 Polyazacrown-based materials for mercury capture and synthesis of those materials BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2011-06-28 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-20090057233-A1 Polyazacrown-based materials for mercury capture and synthesis of those materials BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2009-03-05 US disclosed
US-7235142-B2 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON (US) 2007-06-26 US disclosed