SCHEMBL8024375

SCHEMBL8024375

CCCCC(CC)COCO

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.58
ALDH1A1 P00352 7/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
ATM Q13315 1/20 0.52
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
CA2 P00918 3/20 0.45
RECQL P46063 1/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
Alcohol SCHEMBL2450700 0.89 ALDH1A1 (0.60) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
Ethylene Glycol SCHEMBL1834227 0.87 CYP3A4 (0.58) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
Ethylene Glycol SCHEMBL33531 0.87 CYP3A4 (0.58) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL80432 0.86 CYP3A4 (0.67) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
Acrylic Acid SCHEMBL27530013 0.85 TSHR (0.60) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL125981 0.84 ALDH1A1 (0.55) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL23087841 0.84 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
Barium SCHEMBL10790747 0.84 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
Calcium SCHEMBL10786160 0.84 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
Magnesium SCHEMBL10786879 0.84 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407626-B2 Hydrocarbon soluble/dispersible hemiformals as hydrogen sulfide scavengers ECOLAB USA INC. (US) 2019-09-10 US claimed
CN-107949625-B Hydrocarbon soluble/dispersible hemiformals as hydrogen sulfide scavengers 艺康美国股份有限公司 2020-10-02 CN disclosed
EP-3347441-B1 HYDROCARBON SOLUBLE/DISPERSIBLE HEMIFORMALS AS HYDROGEN SULFIDE SCAVENGERS ECOLAB USA INC (US) 2020-06-10 EP disclosed
US-10407626-B2 Hydrocarbon soluble/dispersible hemiformals as hydrogen sulfide scavengers ECOLAB USA INC. (US) 2019-09-10 US disclosed
EP-3347441-A1 HYDROCARBON SOLUBLE/DISPERSIBLE HEMIFORMALS AS HYDROGEN SULFIDE SCAVENGERS Ecolab USA Inc. (US) 2018-07-18 EP disclosed
WO-2017044250-A1 HYDROCARBON SOLUBLE/DISPERSIBLE HEMIFORMALS AS HYDROGEN SULFIDE SCAVENGERS ECOLAB USA INC. (US) 2017-03-16 WO disclosed
US-20170066977-A1 HYDROCARBON SOLUBLE/DISPERSIBLE HEMIFORMALS AS HYDROGEN SULFIDE SCAVENGERS ECOLAB USA INC. (US) 2017-03-09 US disclosed
EP-2953919-B1 PROCESS FOR THE SEPARATION OF ACROLEIN FROM THE PROCESS GAS FROM THE HETEROGENEOUSLY CATALYZED OXIDATION OF PROPENE EVONIK DEGUSSA GMBH (DE) 2016-10-19 EP disclosed
EP-2953919-A1 METHOD FOR REMOVING ACROLEIN FROM THE PROCESS GAS OF A HETEROGENEOUSLY CATALYSED OXIDATION OF PROPENE Evonik Degussa GmbH (DE) 2015-12-16 EP disclosed
WO-2014122044-A1 METHOD FOR REMOVING ACROLEIN FROM THE PROCESS GAS OF A HETEROGENEOUSLY CATALYSED OXIDATION OF PROPENE EVONIK INDUSTRIES AG (DE) 2014-08-14 WO disclosed
EP-2765127-A1 Process for the separation of acrolein from the process gas from the heterogeneously catalyzed oxidation of propene Evonik Industries AG (DE) 2014-08-13 EP disclosed
EP-1025139-A1 COPOLYMERIZATION OF FORMALDEHYDE AND CYCLIC ETHERS USING INITIATORS BASED UPON TETRAPHENYL BORATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-09 EP disclosed
US-6072021-A Copolymerization of formaldehyde and cyclic ethers using initiators based upon tetraphenyl borates E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-06-06 US disclosed
WO-1999021903-A1 COPOLYMERIZATION OF FORMALDEHYDE AND CYCLIC ETHERS USING INITIATORS BASED UPON TETRAPHENYL BORATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-05-06 WO disclosed