SCHEMBL9507667

SCHEMBL9507667

C=CC(=O)OCC(C)(C)C(=O)OCC(C)(C)CO

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TP53 P04637 3/20 0.53
HIF1A Q16665 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 7/20 0.40
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL828170 0.91 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL230726 0.89 ALDH1A1 (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL2383383 0.88 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL106116 0.83 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
Ethylene Glycol SCHEMBL28305502 0.83 ALDH1A1 (0.49) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid Methyl Ester SCHEMBL27599040 0.83 ALDH1A1 (0.56) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL12403725 0.82 CYP4F2 (0.35) CYP4F2CYP4A11
SCHEMBL22406559 0.82 ALDH1A1 (0.51) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL19086937 0.81 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
Acrylic Acid SCHEMBL4622901 0.81 ALDH1A1 (0.38) ALDH1A1TP53HIF1ACYP3A4MAPK1

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
CN-101805511-B Water-borne coating systems based on physically drying urethane acrylates BAYER MATERIALSCIENCE AG 2014-09-10 CN disclosed
CN-101805511-A Water-borne coating systems based on physically drying urethane acrylates BAYER MATERIALSCIENCE AG 2010-08-18 CN disclosed
CN-1331906-C one-component coating system BAYER MATERIALSCIENCE AG (DE) 2007-08-15 CN disclosed
CN-1751078-A one-component coating system BAYER MATERIALSCIENCE AG (DE) 2006-03-22 CN disclosed
US-5248809-A Acrylated poly b-methylvalerolactone NIPPON PAINT CO., LTD. (JP) 1993-09-28 US disclosed
EP-0368606-B1 A PROCESS FOR PREPARING A POLYMERIZABLE COMPOUND NIPPON PAINT CO., LTD. (JP) 1993-08-11 EP disclosed
EP-0368606-A1 A process for preparing a polymerizable compound NIPPON PAINT CO., LTD. (JP) 1990-05-16 EP disclosed