SCHEMBL6742403

SCHEMBL6742403

C=CC(=O)OCCC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.64
ALDH1A1 P00352 4/20 0.51
TP53 P04637 3/20 0.51
HIF1A Q16665 3/20 0.51
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 8/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.31
DGKA P23743 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
SCHEMBL1562777 0.98 THRB (0.66) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL9143977 0.91 ALDH1A1 (0.57) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL9142684 0.91 ALDH1A1 (0.57) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL24195194 0.91 THRB (0.69) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL24195723 0.90 ALDH1A1 (0.58) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL13801183 0.89 THRB (0.57) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL14015781 0.89 THRB (0.57) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL2459436 0.88 ALDH1A1 (0.55) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL13917109 0.87 THRB (0.55) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL27055864 0.87 THRB (0.55) THRBALDH1A1TP53HIF1ACYP3A4

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
US-20220010156-A1 RADIATION CURABLE INKJET INK FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT NV (BE) 2022-01-13 US disclosed
US-RE38444-E1 Absorbing agent, process of manufacturing same, and absorbent product containing same NIPPON SHOKUBAI CO., LTD. (JP) 2004-02-24 US disclosed
EP-0712659-B1 WATER ABSORBENT, PROCESS FOR PRODUCING THE SAME, AND ABSORBENT ARTICLE CONTAINING THE SAME NIPPON CATALYTIC CHEM IND (JP) 2002-01-09 EP disclosed
US-6180724-B1 MIXING A PRECURSOR OF AN ABSORBING AGENT HAVING CARBOXYLIC ACID GROUP WITH FIRST AND SECOND CROSSLINKING AGENTS OF GIVEN SOLUBILITY PARAMETERS REACTIVE TO THE ACID AND HEAT TREATING TO OBTAIN ABSORBING AGENT WITH ABSORBENCY UNDER PRESSURE NIPPON SHOKUBAI CO., LTD. (JP) 2001-01-30 US disclosed
US-6054541-A CROSSLINKED ACRYLIC ACID POLYMER NIPPON SHOKUBAI CO., LTD. (JP) 2000-04-25 US disclosed
US-5760080-A POLYMER OF MONOMER CONTAINING HYDOPHILIC, NEUTRALIZED ACRYLIC ACID; CROSSLIKNK DENSITY HIGHER OUTSIDE THAN INSIDE; SANITRY NAPKINS, DIAPERS NIPPON SHOKUBAI CO., LTD. (JP) 1998-06-02 US disclosed
EP-0712659-A1 WATER ABSORBENT, PROCESS FOR PRODUCING THE SAME, AND ABSORBENT ARTICLE CONTAINING THE SAME NIPPON SHOKUBAI KABUSHIKI KAISHA (JP) 1996-05-22 EP disclosed