SCHEMBL4329618

SCHEMBL4329618

CCOC(CC(=O)O)(CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 1/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
FFAR3 O14843 1/20 0.35
CPT2 P23786 2/20 0.33
KDM4E B2RXH2 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
FFAR1 O14842 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC13A5 Q86YT5 2/20 0.33
ACLY P53396 3/20 0.32

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
Ethylene Glycol SCHEMBL3734256 0.94 CYP2D6 (0.38) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL315985 0.91 CYP2D6 (0.39) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL5346342 0.91 CYP2D6 (0.39) CYP2D6TSHRCYP2C19HIF1AALDH1A1
1,4-Butanediol SCHEMBL3728797 0.90 CYP4F2 (0.37) CYP2D6TSHRCYP2C19HIF1AALDH1A1
Propylene Glycol SCHEMBL3728972 0.87 TDP1 (0.36) CYP2D6TSHRCYP2C19HIF1AALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL3736317 0.87 ALDH1A1 (0.40) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL3004619 0.82 GAA (0.35) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL9484651 0.82 CYP2C19 (0.39) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL27774187 0.81 TDP1 (0.41) TSHRALDH1A1CPT2FFAR1TDP1
SCHEMBL28133979 0.80 EGLN1 (0.42) CYP2D6ALDH1A1HMGCRCHRM1TBXA2R

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
US-7632439-B2 Poly(ethylene chlorotrifluoroethylene) membranes SIEMENS WATER TECHNOLOGIES CORP. (US) 2009-12-15 US claimed
US-20070216057-A1 Poly(ethylene chlorotrifluoroethylene) membranes SEIMENS WATER TECHNOLOGIES CORP. 2007-09-20 US claimed
US-4572740-A Citric acid esters as blowing and nucleating agents in the processing plastics BOEHRINGER INGELHEIM KG (DE) 1986-02-25 US claimed
US-20220112479-A1 COMPOUNDS STABILIZING AMYLASES IN LIQUIDS BASF SE (DE) 2022-04-14 US disclosed
EP-3861115-A1 COMPOUNDS STABILIZING HYDROLASES IN LIQUIDS BASF SE (DE) 2021-08-11 EP disclosed
EP-3861114-A1 COMPOUNDS STABILIZING AMYLASES IN LIQUIDS BASF SE (DE) 2021-08-11 EP disclosed
EP-3861116-A1 COMPOUNDS STABILIZING HYDROLASES IN LIQUIDS BASF SE (DE) 2021-08-11 EP disclosed
EP-3677676-A1 COMPOUNDS STABILIZING AMYLASES IN LIQUIDS BASF SE (DE) 2020-07-08 EP disclosed
WO-2020069913-A1 COMPOUNDS STABILIZING HYDROLASES IN LIQUIDS BASF SE (DE) 2020-04-09 WO disclosed
WO-2020069914-A1 COMPOUNDS STABILIZING AMYLASES IN LIQUIDS BASF SE (DE) 2020-04-09 WO disclosed
WO-2020069915-A1 COMPOUNDS STABILIZING HYDROLASES IN LIQUIDS BASF SE (DE) 2020-04-09 WO disclosed
EP-1236044-A2 DIAGNOSING AND TREATING ARTHRITIC DISORDERS Mitokor (US) 2002-09-04 EP disclosed
WO-2001020018-A2 DIAGNOSING AND TREATING ARTHRITIC DISORDERS MITOKOR (US) 2001-03-22 WO disclosed
EP-0941131-A1 IMPROVED BIORESORBABLE SEALANTS FOR POROUS VASCULAR GRAFTS Meadox Medicals, Inc. (US) 1999-09-15 EP disclosed
US-5851229-A Bioresorbable sealants for porous vascular grafts MEADOX MEDICALS, INC. (US) 1998-12-22 US disclosed
WO-1998010804-A1 IMPROVED BIORESORBABLE SEALANTS FOR POROUS VASCULAR GRAFTS MEADOX MEDICALS, INC. (US) 1998-03-19 WO disclosed
US-5225107-A Monosodium citrate, sodium bicarbonate and talc for foam control BOEHRINGER INGELHEIM GMBH (DE) 1993-07-06 US disclosed
WO-1991018508-A1 COMPOSITION AGAINST OZONE DAMAGES TO CULTIVATIONS AND METHOD FOR ITS APPLICATION SOSTRA S.R.L. (IT) 1991-12-12 WO disclosed
US-4931094-A Titanium(IV)-chelates and their use in printing inks HUELS TROISDORF AG (DE) 1990-06-05 US disclosed
US-4572740-A Citric acid esters as blowing and nucleating agents in the processing plastics BOEHRINGER INGELHEIM KG (DE) 1986-02-25 US disclosed