SCHEMBL8426313

SCHEMBL8426313

C=C(C)C(=O)OCCC1(C(Cl)I)CCCCC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 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
SCHEMBL960865 0.76 THRB (0.42) THRBTSHRALDH1A1
SCHEMBL936916 0.76 THRB (0.42) THRBTSHRALDH1A1
SCHEMBL8613918 0.74 THRB (0.38) THRBTSHRALDH1A1
SCHEMBL28965506 0.71 THRB (0.31) THRBTSHR
SCHEMBL28481187 0.71 THRB (0.40) THRBTSHRALDH1A1
SCHEMBL28965502 0.69 THRB (0.30) THRB
SCHEMBL18927201 0.68 THRB (0.43) THRBTSHRALDH1A1
SCHEMBL29187280 0.68 THRB (0.37) THRBTSHRALDH1A1
SCHEMBL28962052 0.68 THRB (0.37) THRBTSHRALDH1A1
SCHEMBL27501921 0.67 TSHR (0.49) THRBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922786-A PART A COMPRISES AN ACIDIC POLYMERIZABLE COMPOUND AND POLYMERIZABLE DILUENT SELECTED SO THAT IF WATER IS PRESENT, THE PH OF PART A IS GREATER THAN 2; PART B COMPRISES AN ACIDIC MATERIAL SUCH THAT THE PH IS 2; NO ETCHING STEP NEEDED MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-13 US disclosed