SCHEMBL4606582

SCHEMBL4606582

C=C(CCCO)C(=O)O.C=CC(=O)OCCO

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.63
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 2/20 0.48
HPGD P15428 1/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
HSD17B10 Q99714 2/20 0.44
THRB P10828 2/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.35
CAMK2A Q9UQM7 1/20 0.33
TBXAS1 P24557 2/20 0.32

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
SCHEMBL11029235 0.93 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1169261 0.90 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29425589 0.89 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9768543 0.88 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8382799 0.88 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2781456 0.86 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8578352 0.84 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9776651 0.83 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29897953 0.83 TSHR (0.38) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL367337 0.82 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036103-B2 MODIFIED POLYURETHANE HOTMELT ADHESIVE HENKEL AG & CO KGAA (DE) 2008-07-16 EP claimed
EP-1036103-B1 MODIFIED POLYURETHANE HOTMELT ADHESIVE HENKEL KGAA (DE) 2002-09-11 EP claimed
JP-2001525429-A 2001-12-11 JP claimed
EP-1036103-A1 MODIFIED POLYURETHANE HOTMELT ADHESIVE Henkel Kommanditgesellschaft auf Aktien (DE) 2000-09-20 EP claimed
WO-1999028363-A1 MODIFIED POLYURETHANE HOTMELT ADHESIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-06-10 WO claimed
CN-115124661-A Super slump retaining type polycarboxylic acid high-performance water reducing agent and preparation method thereof 天津市飞龙砼外加剂有限公司 2022-09-30 CN disclosed
CN-115124661-A Super slump retaining type polycarboxylic acid high-performance water reducing agent and preparation method thereof 天津市飞龙砼外加剂有限公司 2022-09-30 CN disclosed
EP-1216831-A1 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2002-06-26 EP disclosed