SCHEMBL5847716

SCHEMBL5847716

C=CC(=O)OC1(C=C)CC1.C=CC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.48
LMNA P02545 2/20 0.46
AKR1B10 O60218 2/20 0.43
AKR1B1 P15121 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
THRB P10828 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TGM2 P21980 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL28230354 0.83 HCAR2 (0.65) HCAR2LMNAAKR1B10AKR1B1CA12
Benzene SCHEMBL28307095 0.83 HCAR2 (0.65) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL34054 0.83 HCAR2 (0.65) HCAR2LMNAAKR1B10AKR1B1CA12
Methane SCHEMBL28851569 0.82 HCAR2 (0.62) HCAR2LMNAAKR1B10AKR1B1CA12
Hydrochloric Acid SCHEMBL28804358 0.82 HCAR2 (0.62) HCAR2LMNAAKR1B10AKR1B1CA12
Bicarbonate SCHEMBL3955752 0.82 HCAR2 (0.62) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL11696680 0.82 HCAR2 (0.62) HCAR2LMNAAKR1B10AKR1B1CA12
Bromide SCHEMBL28618019 0.82 HCAR2 (0.62) HCAR2LMNAAKR1B10AKR1B1CA12
Ethylene SCHEMBL6402744 0.82 HCAR2 (0.62) HCAR2LMNAAKR1B10AKR1B1CA12
Ammonia Solution, Strong SCHEMBL11584311 0.82 HCAR2 (0.62) HCAR2LMNAAKR1B10AKR1B1CA12

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7052628-B2 Transition metal carboxylates as catalysts for oxygen scavenging CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2006-05-30 US claimed
WO-2005056721-A1 TRANSITION METAL CARBOXYLATES AS CATALYSTS FOR OXYGEN SCAVENGING CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2005-06-23 WO claimed
US-20050104033-A1 Transition metal carboxylates as catalysts for oxygen scavenging CRYOVAC, INC. 2005-05-19 US claimed
US-7052628-B2 Transition metal carboxylates as catalysts for oxygen scavenging CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2006-05-30 US disclosed
WO-2005056721-A1 TRANSITION METAL CARBOXYLATES AS CATALYSTS FOR OXYGEN SCAVENGING CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2005-06-23 WO disclosed
US-20050104033-A1 Transition metal carboxylates as catalysts for oxygen scavenging CRYOVAC, INC. 2005-05-19 US disclosed
EP-0889781-B1 MULTILAYER STRUCTURE COMPRISING AN OXYGEN SCAVENGING LAYER AND A BY-PRODUCT NEUTRALISING LAYER AND PACKAGE INCLUDING SAID STRUCTURE CHEVRON PHILLIPS CHEMICAL CO (US) 2002-10-02 EP disclosed
US-6057013-A Oxygen scavenging system including a by-product neutralizing material CHEVRON CHEMICAL COMPANY (US) 2000-05-02 US disclosed
EP-0889781-A1 OXYGEN SCAVENGING SYSTEM INCLUDING A BY-PRODUCT NEUTRALIZING MATERIAL Chevron Chemical Company LLC (US) 1999-01-13 EP disclosed
WO-1997032722-A1 OXYGEN SCAVENGING SYSTEM INCLUDING A BY-PRODUCT NEUTRALIZING MATERIAL CHEVRON CHEMICAL COMPANY LLC (US) 1997-09-12 WO disclosed