SCHEMBL4247267

SCHEMBL4247267

C=C(C(=O)OCCN)C(C)C.C=C(CC)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.31
TSHR P16473 2/20 0.30
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 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
SCHEMBL41031 0.87 TSHR (0.36) THRBTSHR
SCHEMBL10448434 0.86 TSHR (0.56) THRBTSHR
Acetic Acid SCHEMBL8433810 0.85 TSHR (0.37) THRBTSHR
Hydrochloric Acid SCHEMBL2533776 0.85 TSHR (0.35) THRBTSHR
Ammonia Solution, Strong SCHEMBL3663515 0.85 TSHR (0.35) THRBTSHR
Chloromethane SCHEMBL543091 0.83 TSHR (0.34) THRBTSHR
Acrylic Acid SCHEMBL8037578 0.81 TSHR (0.34) TSHR
Sulfuric Acid SCHEMBL5068577 0.80 TSHR (0.32) THRBTSHR
Ethyl Acetate SCHEMBL7212281 0.79 ALDH1A1 (0.45) THRBTSHR
SCHEMBL10757690 0.78 THRB (0.49) THRBTSHR

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-7632620-B2 Coated carrier XEROX CORPORATION (US) 2009-12-15 US claimed
US-7632620-B2 Coated carrier XEROX CORPORATION (US) 2009-12-15 US disclosed
US-20060172218-A1 Coated carrier XEROX CORPORATION 2006-08-03 US disclosed
EP-1686428-A1 Coated carrier Xerox Corporation (US) 2006-08-02 EP disclosed