SCHEMBL3139934

SCHEMBL3139934

C=CC(=O)OC(CC)COC(=O)/C=C\C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.49
TSHR P16473 5/20 0.45
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.33
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
TP53 P04637 1/20 0.31
HIF1A Q16665 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
SCHEMBL5144261 1.00 HCAR2 (0.49) HCAR2TSHRHPGDATMALDH1A1
SCHEMBL1537104 0.87 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
Ethylene Glycol SCHEMBL9562384 0.82 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL5145703 0.82 HCAR2 (0.46) HCAR2TSHRATMALDH1A1
SCHEMBL195181 0.82 HCAR2 (0.46) HCAR2TSHRATMALDH1A1
SCHEMBL3925814 0.81 TSHR (0.55) HCAR2TSHRHPGDATMALDH1A1
SCHEMBL3925810 0.81 TSHR (0.55) HCAR2TSHRHPGDATMALDH1A1
SCHEMBL7162575 0.80 HCAR2 (0.46) HCAR2TSHRALDH1A1CYP3A4TP53
SCHEMBL19048786 0.79 HCAR2 (0.52) HCAR2TSHRATMTP53
SCHEMBL27993882 0.79 TSHR (0.53) HCAR2TSHRHPGDATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349779-B2 Polymers with h-bridge forming functionalities EVONIK ROHMAX ADDITIVES GMBH (DE) 2013-01-08 US claimed
US-8933169-B2 Low water-absorption plastisol polymers Kaneka Belguim N.V. (BE) 2015-01-13 US disclosed
US-8722600-B2 Polymers with H-bridge forming functionalities for improving anti-wear protection EVONIK ROHMAX ADDITIVES GMBH (DE) 2014-05-13 US disclosed
US-8349779-B2 Polymers with h-bridge forming functionalities EVONIK ROHMAX ADDITIVES GMBH (DE) 2013-01-08 US disclosed
EP-1740631-B1 POLYMERS WITH H-BRIDGE FORMING FUNCTIONALITIES EVONIK ROHMAX ADDITIVES GMBH (DE) 2010-07-21 EP disclosed
EP-1399489-B1 METHOD FOR PRODUCING POLYMER COMPOSITIONS, POLYMER COMPOSITIONS OBTAINED BY USING THIS METHOD, AND THE USE THEREOF EVONIK ROHMAX ADDITIVES GMBH (DE) 2008-10-01 EP disclosed
EP-1771488-B1 LOW WATER-ABSORPTION PLASTISOL POLYMERS EVONIK ROEHM GMBH (DE) 2008-08-27 EP disclosed
US-20070259987-A1 Low Water-Absorption Plastisol Polymers ROEHM GMBH (DE) 2007-11-08 US disclosed
US-20070197409-A1 Polymers with h-bridge forming functionalities for improving anti-wear protection EVONIK DEGUSSA GMBH (DE) 2007-08-23 US disclosed
US-20070184993-A1 Polymers with h-bridge forming functionalities ROHMAX ADDITIVES GMBH (DE) 2007-08-09 US disclosed
EP-1771488-A1 LOW WATER-ABSORPTION PLASTISOL POLYMERS Röhm GmbH (DE) 2007-04-11 EP disclosed
EP-1740631-A1 POLYMERS WITH H-BRIDGE FORMING FUNCTIONALITIES Rohmax Additives GmbH (DE) 2007-01-10 EP disclosed
EP-1733011-A1 POLYMERS WITH H-BRIDGE FORMING FUNCTIONALITIES FOR IMPROVING ANTI-WEAR PROTECTION Rohmax Additives GmbH (DE) 2006-12-20 EP disclosed
WO-2006010465-A1 LOW WATER-ABSORPTION PLASTISOL POLYMERS RÖHM GMBH (DE) 2006-02-02 WO disclosed
WO-2005097956-A1 POLYMERS WITH H-BRIDGE FORMING FUNCTIONALITIES FOR IMPROVING ANTI-WEAR PROTECTION ROHMAX ADDITIVES GMBH (DE) 2005-10-20 WO disclosed
WO-2005097855-A1 POLYMERS WITH H-BRIDGE FORMING FUNCTIONALITIES ROHMAX ADDITIVES GMBH (DE) 2005-10-20 WO disclosed
US-6610802-B2 Polymerizing unsatd. monomers with a transition metal catalyst and a coordination compound-forming ligand; filtration using a filter aid having carboxylic acid-, sulfonic acid- or phosphonic acid-containing units ROHMAX ADDITIVES GMBH (DE) 2003-08-26 US disclosed
US-20030060587-A1 Process for synthesis of polymer compositions, polymer compositions obtainable by the process, and use of the same ROHMAX ADDITIVES GMBH (DE) 2003-03-27 US disclosed