SCHEMBL6669359

SCHEMBL6669359

COC(=O)[C@H](O)C(C)(C)CO

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
KCNH2 Q12809 1/20 0.48
VNN1 O95497 12/20 0.42
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL6669356 1.00 PTGS1 (0.48) PTGS1KCNH2VNN1CA1CA2
SCHEMBL5679836 0.80 PTGS1 (0.43) PTGS1KCNH2VNN1
SCHEMBL6670659 0.80 PTGS1 (0.43) PTGS1KCNH2VNN1
SCHEMBL29074106 0.79 PTGS1 (0.47) PTGS1KCNH2VNN1
SCHEMBL15951501 0.78 PTGS1 (0.42) PTGS1KCNH2VNN1CA1CA2
SCHEMBL6671680 0.77 PTGS1 (0.41) PTGS1KCNH2VNN1
SCHEMBL31038948 0.77 PTGS1 (0.41) PTGS1KCNH2VNN1
SCHEMBL6671682 0.77 PTGS1 (0.41) PTGS1KCNH2VNN1
SCHEMBL9370544 0.75 SMN1; SMN2 (0.44) CA1CA2SMN1; SMN2
SCHEMBL7814071 0.75 SMN1; SMN2 (0.44) CA1CA2SMN1; SMN2

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
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
US-10858615-B2 Surface treatment composition, preparation method thereof, surface treatment method using the same FUJIMI INCORPORATED (JP) 2020-12-08 US disclosed
US-20190093051-A1 SURFACE TREATMENT COMPOSITION, PREPARATION METHOD THEREOF, SURFACE TREATMENT METHOD USING THE SAME FUJIMI INCORPORATED (JP) 2019-03-28 US disclosed
EP-0831767-B1 ALPHA HYDROXYACID ESTERS FOR SKIN AGING YU RUEY J (US) 2004-09-22 EP disclosed
EP-0831767-A4 ALPHA HYDROXYACID ESTERS FOR SKIN AGING YU RUEY J (US) 2000-05-17 EP disclosed
EP-0831767-A1 ALPHA HYDROXYACID ESTERS FOR SKIN AGING Yu, Ruey J., Dr. (US) 1998-04-01 EP disclosed
US-5686489-A TOPICALLY APPLIED TO INDUCE GLYCOSAMINOGLYCAN, PROTEOGLYCAN, COLLAGEN AND ELASTIN BIOSYNTHESIS; WRINKLE RESISTANCE TRISTRATA TECHNOLOGY, INC. (US) 1997-11-11 US disclosed
WO-1996040047-A1 ALPHA HYDROXYACID ESTERS FOR SKIN AGING YU RUEY J (US) 1996-12-19 WO disclosed