SCHEMBL2729698

SCHEMBL2729698

CC(O)(O)c1c(O)cccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 4/20 0.44
TSHR P16473 3/20 0.44
CA2 P00918 6/20 0.43
HPGD P15428 4/20 0.43
ALOX15 P16050 4/20 0.43
HSD17B10 Q99714 4/20 0.43
CA1 P00915 4/20 0.43
LMNA P02545 3/20 0.43
RECQL P46063 3/20 0.43
EGFR P00533 2/20 0.43
FYN P06241 2/20 0.43
MMP9 P14780 2/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
CA6 P23280 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL18545944 0.83 TRPA1 (0.46) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL20177159 0.80 MAPT (0.57) ATMALDH1A1TDP1TSHRCA2
SCHEMBL419708 0.80 ALDH1A1 (0.52) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL8964176 0.77 ALDH1A1 (0.47) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL28610617 0.74 TRPA1 (0.38) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL22839343 0.72 ALDH1A1 (0.43) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL4503427 0.72 TRPA1 (0.41) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL144221 0.72 ALDH1A1 (0.62) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL7708165 0.72 TRPA1 (0.41) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL112587 0.72 TRPA1 (0.58) TRPA1ATMALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042623-B1 Melt spun TPU monofilament fiber or elastic tape LUBRIZOL ADVANCED MAT INC (US) 2012-05-02 EP claimed
EP-1639026-B1 MELT SPUN POLYETHER TPU FIBERS HAVING MIXED POLYOLS AND PROCESS LUBRIZOL ADVANCED MAT INC (US) 2008-05-28 EP claimed
US-6359101-B1 POLYMERIZING AN EPOXIDE IN THE PRESENCE OF A DOUBLE METAL CYANIDE CATALYST AND A FIRST STARTER, REACTING WITH EPOXIDE TO PRODUCE POLYETHERPOLYOL SYNUTHANE INTERNATIONAL, INC. 2002-03-19 US claimed
CN-118791725-A High-glass transition temperature polypropylene carbonate and preparation method thereof 美瑞新材料创新中心(山东)有限公司 2024-10-18 CN disclosed
CN-118146477-A Thermoplastic polyurethane elastomer composition and preparation method and application thereof 万华化学集团股份有限公司 2024-06-07 CN disclosed
US-10358404-B2 Process for the production of low molecular weight impact polyethers COVESTRO LLC (US) 2019-07-23 US disclosed
EP-2970583-B1 IMPROVED CONTINUOUS PROCESS FOR THE PRODUCTION OF LOW MOLECULAR WEIGHT POLYETHERS WITH A DMC CATALYST COVESTRO LLC (US) 2018-07-18 EP disclosed
US-9890100-B2 Continuous process for the production of low molecular weight polyethers with a DMC catalyst COVESTRO LLC (US) 2018-02-13 US disclosed
EP-2888310-B1 IMPROVED PROCESS FOR THE PRODUCTION OF LOW MOLECULAR WEIGHT IMPACT POLYETHERS COVESTRO LLC (US) 2017-08-23 EP disclosed
EP-2888310-A2 IMPROVED PROCESS FOR THE PRODUCTION OF LOW MOLECULAR WEIGHT IMPACT POLYETHERS Bayer MaterialScience LLC (US) 2015-07-01 EP disclosed
US-20140275633-A1 CONTINUOUS PROCESS FOR THE PRODUCTION OF LOW MOLECULAR WEIGHT POLYETHERS WITH A DMC CATALYST COVESTRO LLC 2014-09-18 US disclosed
US-6359101-B1 POLYMERIZING AN EPOXIDE IN THE PRESENCE OF A DOUBLE METAL CYANIDE CATALYST AND A FIRST STARTER, REACTING WITH EPOXIDE TO PRODUCE POLYETHERPOLYOL SYNUTHANE INTERNATIONAL, INC. 2002-03-19 US disclosed
US-6054551-A Polyester comprising a residue of isophthalic acid, terephthalic acid, ethylene glycol and an aromatic diol derivative EASTMAN CHEMICAL COMPANY (US) 2000-04-25 US disclosed
WO-2000004076-A2 POLYESTER COMPRISING A RESIDUE OF ISOPHTHALIC ACID, TEREPHTHALIC ACID, ETHYLENE GLYCOL AND AN AROMATIC DIOL DERIVATIVE AND A METHOD FOR IDENTIFYING THE POLYESTER BY FLUORESCENCE EASTMAN CHEMICAL COMPANY (US) 2000-01-27 WO disclosed
EP-0415982-B1 METHOD OF PREPARING AROMATIC ETHERS FROM IODOAROMATIC COMPOUNDS EASTMAN KODAK CO (US) 1993-11-24 EP disclosed
EP-0415982-A1 METHOD OF PREPARING AROMATIC ETHERS FROM IODOAROMATIC COMPOUNDS. EASTMAN KODAK CO (US) 1991-03-13 EP disclosed
WO-1989010912-A1 METHOD OF PREPARING AROMATIC ETHERS FROM IODOAROMATIC COMPOUNDS EASTMAN KODAK COMPANY (US) 1989-11-16 WO disclosed
US-4575518-A PRODUCTION OF POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1986-03-11 US disclosed
US-4500656-A CONTAINING LIQUID ADDUT OF AMINE AND CARBON DIOXIDE BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
US-4273912-A Polyurethane floor varnish and floor materials coated therewith MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-06-16 US disclosed