SCHEMBL4443005

SCHEMBL4443005

C=C(C)C(=O)OC=CC([O])=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 3/20 0.34
THRB P10828 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL4619432 0.84 ALDH1A1 (0.44) ALDH1A1TSHRTHRBTDP1
SCHEMBL7751274 0.83 ALDH1A1 (0.52) ALDH1A1TSHRTHRBTDP1
SCHEMBL11964230 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTHRBTDP1
SCHEMBL4382799 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTHRBTDP1
SCHEMBL28428961 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL27651594 0.78 ALDH1A1 (0.50) ALDH1A1TSHRTHRBTDP1
Bicarbonate SCHEMBL28149723 0.77 ALDH1A1 (0.42) ALDH1A1TSHRTHRBTDP1
Bicarbonate SCHEMBL7078099 0.77 ALDH1A1 (0.42) ALDH1A1TSHRTHRBTDP1
SCHEMBL8999826 0.76
SCHEMBL8390664 0.76 ALDH1A1 (0.46) ALDH1A1TSHRTHRBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0845790-B1 Magnetorheological fluids and polymer coated magnetic particles FLUDICON GMBH (DE) 2002-07-10 EP claimed
EP-0845790-A1 Magnetorheological fluids and polymer coated magnetic particles BAYER AG (DE) 1998-06-03 EP claimed
CN-101031591-B Process for continuous production of crosslinked particulate gel-type polymers BASF AG 2012-05-23 CN disclosed
EP-2125833-A1 METHOD FOR THE PRODUCTION OF POLYMERISABLE SILICONES Wacker Chemie AG (DE) 2009-12-02 EP disclosed
WO-2008090012-A1 METHOD FOR THE PRODUCTION OF POLYMERISABLE SILICONES WACKER CHEMIE AG (DE) 2008-07-31 WO disclosed
CN-101031591-A Method for the continuous production of crosslinked particulate gel-type polymers BASF AG (DE) 2007-09-05 CN disclosed
US-4546018-A SILICONE MODIFIED EPOXY RESINS TORAY SILICONE CO., LTD. (JP) 1985-10-08 US disclosed