SCHEMBL8939196

SCHEMBL8939196

C=C(C)C(=O)OCCC(=O)O.C=CC(=O)OCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 6/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 3/20 0.44
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR2 Q8TDS4 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
Methacrylic Acid SCHEMBL6035482 0.89 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11119130 0.89 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4HSD17B10
SCHEMBL7198587 0.89 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4HSD17B10
SCHEMBL9227122 0.89 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4HSD17B10
SCHEMBL700688 0.87 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL75014 0.87 THRB (0.55) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL5968810 0.85 ALDH1A1 (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9788891 0.85 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28540434 0.85 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL28333180 0.85 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A

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-0073529-A2 Preparation of sequential polymers and use thereof in coating compositions and as thickening agents ROHM AND HAAS COMPANY (US) 1983-03-09 EP claimed
US-5527613-A CARBOXYLIC ACID OR ANHYDRIDE AND ETHYLENICALLY UNSATURATED MONOMERS; CONTROL RELEASE DEVICES FOR TARGET COMPOUNDS ROHM AND HAAS COMPANY (US) 1996-06-18 US disclosed
US-5510422-A FORMING SHELL AND CORE POLYMERIC PARTICLES HAVING MICROVOIDS BY NEUTRALIZING CORE CAUSING THE SHELL TO EXPLODE IN A CONTROLLED FASHION ROHM AND HAAS COMPANY (US) 1996-04-23 US disclosed
US-5304707-A Neutralizing shell-core polymers so as to swell and absorb aqueous waste ROHM AND HAAS COMPANY (US) 1994-04-19 US disclosed
EP-0315462-B1 Method of solidification and encapsulation using core-shell polymer particles ROHM & HAAS (US) 1994-01-12 EP disclosed
EP-0565244-A1 Polymeric particles ROHM AND HAAS COMPANY (US) 1993-10-13 EP disclosed
EP-0315462-A2 Method of solidification and encapsulation using core-shell polymer particles ROHM AND HAAS COMPANY (US) 1989-05-10 EP disclosed