SCHEMBL4666797

SCHEMBL4666797

CC(CO)(CO)C(=O)O.CCC(CO)(CO)CO.CCC(CO)(CO)CO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 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
SCHEMBL8501300 1.00 TSHR (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL6556198 0.85 TSHR (0.46) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Pivalate SCHEMBL27669731 0.85 TSHR (0.36) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Pivalate SCHEMBL29249466 0.85 TSHR (0.36) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Alcohol SCHEMBL6689651 0.85 TSHR (0.50) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL26766 0.84
SCHEMBL181160 0.84 TSHR (0.55) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL4905958 0.82
SCHEMBL14518179 0.82
Bicarbonate SCHEMBL8777834 0.82 FFAR3 (0.37) TSHRHIF1AALDH1A1MEN1CYP1A2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1438368-B1 PHOTOCHROMIC POLYMERIZABLE COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2008-02-20 EP claimed
US-6998072-B2 Containing polymerizable material and photochromic compound; ophthalmic lenses TRANSITIONS OPTICAL, INC. (US) 2006-02-14 US claimed
US-6916537-B2 Articles having a photochromic polymeric coating TRANSITIONS OPTICAL INC. (US) 2005-07-12 US claimed
EP-1451256-B1 ARTICLES HAVING A PHOTOCHROMIC POLYMERIC COATING TRANSITIONS OPTICAL INC (US) 2005-06-29 EP claimed
EP-1451256-A1 ARTICLES HAVING A PHOTOCHROMIC POLYMERIC COATING TRANSITIONS OPTICAL, INC. (US) 2004-09-01 EP claimed
EP-1438368-A1 PHOTOCHROMIC POLYMERIZABLE COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2004-07-21 EP claimed
US-20030143404-A1 Articles having a photochromic polymeric coating TRANSITIONS OPTICAL LIMITED (IE) 2003-07-31 US claimed
US-20030136948-A1 Photochromic polymerizable compositions TRANSITIONS OPTICAL LIMITED (IE) 2003-07-24 US claimed
WO-2003037998-A1 ARTICLES HAVING A PHOTOCHROMIC POLYMERIC COATING TRANSITIONS OPTICAL, INC. (US) 2003-05-08 WO claimed
WO-2003038009-A1 PHOTOCHROMIC POLYMERIZABLE COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2003-05-08 WO claimed
CN-113710759-B Stain resistant coating compositions PPG工业俄亥俄公司 2023-03-10 CN disclosed
EP-3947578-A1 STAIN RESISTANT COATING COMPOSITION PPG Industries Ohio, Inc. (US) 2022-02-09 EP disclosed
CN-113710759-A Stain resistant coating compositions PPG工业俄亥俄公司 2021-11-26 CN disclosed
WO-2020205955-A1 STAIN RESISTANT COATING COMPOSITION PPG INDUSTRIES OHIO, INC. (US) 2020-10-08 WO disclosed
US-20080153982-A1 Vinyl-Thiocarbonate and Polyol Containing Block Copolymers LUBRIZOL ADVANCED MATERIALS, INC. 2008-06-26 US disclosed
US-20020009599-A1 Photochromic polyurethane coating and articles having such a coating PPG INDUSTRIES OHIO, INC. 2002-01-24 US disclosed
US-20010025948-A1 Polymeric matrix compatibilized naphthopyrans TRANSITIONS OPTICAL LIMITED (IE) 2001-10-04 US disclosed
WO-2001070719-A2 HYDROXYLATED/CARBOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-09-27 WO disclosed
WO-2001055269-A1 PHOTOCHROMIC POLYURETHANE COATING AND ARTICLES HAVING SUCH A COATING PPG INDUSTRIES OHIO, INC. (US) 2001-08-02 WO disclosed
US-6187444-B1 Photochromic polyurethane coating and articles having such a coating PPG INDUSTRIES OHIO, INC. 2001-02-13 US disclosed