SCHEMBL726130

SCHEMBL726130

CC(C)(C)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SLC6A2 P23975 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.41
CYP2D6 P10635 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL5016440 1.00 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL4421702 0.93 TSHR (0.46) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL3855220 0.93 TSHR (0.46) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL3325624 0.91 TSHR (0.44) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL648537 0.87 AGXT (0.39) TSHRIDO1AGXT
SCHEMBL10819593 0.87 IDO1 (0.55) IDO1AGXTTAAR1
SCHEMBL11625744 0.85 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL10940340 0.85 TSHR (0.52) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL12882981 0.85 TSHR (0.43) TSHRIDO1AGXTALDH1A1SLC6A2
SCHEMBL3832968 0.84 TSHR (0.39) TSHRIDO1AGXTALDH1A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110183352-A β-carbonyl-(alpha-cyano imines) class compound and its synthetic method 上海大学 2019-08-30 CN claimed
EP-1572752-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2014-08-13 EP claimed
EP-1578806-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2013-05-22 EP claimed
CN-1738836-B Polymerization process EXXONMOBIL CHEM PATENTS INC 2013-04-24 CN claimed
EP-2470632-A1 IMPROVED WASHING PERFORMANCE USING RADICAL TRAPS Henkel AG & Co. KGaA (DE) 2012-07-04 EP claimed
EP-1572753-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2012-06-13 EP claimed
JP-4729040-B2 2011-07-20 JP claimed
US-7977437-B2 Process for producing polydienes LUO STEVEN 2011-07-12 US claimed
EP-1578822-B1 POLYMERS SUBSTANTIALLY FREE OF LONG CHAIN BRANCHING EXXONMOBIL CHEM PATENTS INC (US) 2011-04-06 EP claimed
WO-2011023716-A1 IMPROVED WASHING PERFORMANCE USING RADICAL TRAPS HENKEL AG & CO. KGAA (DE) 2011-03-03 WO claimed
CN-1562989-A Method for purifying compound of anhydrides aromatic carboxylic acid TIANJIN TECH (CN) 2005-01-12 CN claimed
WO-2004067577-A2 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-08-12 WO claimed
WO-2004058829-A1 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2004-07-15 WO claimed
WO-2004058836-A1 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
WO-2004058827-A1 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
WO-2004058825-A2 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2004-07-15 WO claimed
WO-2004058828-A1 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
WO-2004058835-A1 POLYMERS SUBSTANTIALLY FREE OF LONG CHAIN BRANCHING EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
WO-2003089497-A1 SYNTHESIS AND APPLICATONS OF POLYMALEIMIDE MICHIGAN STATE UNIVERSITY (US) 2003-10-30 WO claimed
US-20030199664-A1 Synthesis and applications of polymaleimide BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2003-10-23 US claimed