SCHEMBL2350004

SCHEMBL2350004

CC(C)(C)CCC(=O)[O-].CC[N+](CC)(CC)CC(C)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 6/20 0.37
CA1 P00915 3/20 0.34
FFAR3 O14843 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
SLC22A16 Q86VW1 1/20 0.32
NFKB1 P19838 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL2350553 0.90 BBOX1 (0.42) BBOX1CA1FFAR3HDAC3HDAC1
SCHEMBL2349295 0.88 BBOX1 (0.40) BBOX1CA1NFKB1GPR84
SCHEMBL9011585 0.85 BBOX1 (0.36) BBOX1CA1FFAR3HDAC3HDAC1
Tetrylammonium SCHEMBL2352015 0.84 FFAR3 (0.42) BBOX1CA1FFAR3HDAC3HDAC1
SCHEMBL2351443 0.83 SLC22A16 (0.46) BBOX1CA1SLC22A16
Pivalate SCHEMBL2352868 0.80 BBOX1 (0.34) BBOX1SLC22A16
Tetrapropylammonium SCHEMBL2349918 0.77 FFAR3 (0.44) BBOX1CA1FFAR3HDAC3HDAC1
Palmitic Acid SCHEMBL15402651 0.77 FABP3 (0.50) BBOX1CA1NFKB1GPR84
SCHEMBL28210366 0.76 FFAR4 (0.39) NFKB1GPR84
SCHEMBL4922850 0.76 BBOX1 (0.45) BBOX1CA1FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110546-B1 METHOD FOR MAKING A POLYISOCYANURATE/POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2022-03-30 EP claimed
CN-107922564-B Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate-reactive groups 赢创运营有限公司 2021-10-19 CN claimed
EP-3310827-B1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS EVONIK OPERATIONS GMBH (DE) 2021-01-06 EP claimed
US-10759892-B2 Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate reactive groups EVONIK OPERATIONS GMBH (DE) 2020-09-01 US claimed
US-10125234-B2 Catalyst compositions and methods for making foam EVONIK DEGUSSA GMBH (DE) 2018-11-13 US claimed
US-20180179318-A1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS EVONIK OPERATIONS GMBH (DE) 2018-06-28 US claimed
EP-3310827-A1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS Evonik Degussa GmbH (DE) 2018-04-25 EP claimed
EP-3110546-A1 CATALYST COMPOSITIONS AND METHODS FOR MAKING FOAM Air Products and Chemicals, Inc. (US) 2017-01-04 EP claimed
WO-2016201675-A1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-12-22 WO claimed
WO-2015130939-A1 CATALYST COMPOSITIONS AND METHODS FOR MAKING FOAM AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-09-03 WO claimed
US-20150240023-A1 Catalyst Compositions and Methods for Making Foam AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-08-27 US claimed
US-20130341562-A1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AIR PRODUCTS AND CHEMICALS INC. (US) 2013-12-26 US claimed
US-8530534-B2 Trimerization catalysts from sterically hindered salts AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-09-10 US claimed
EP-1852448-B1 New trimerization catalysts from sterically hindered salts AIR PROD & CHEM (US) 2011-08-31 EP claimed
US-20070259983-A1 Trimerization catalysts from sterically hindered salts EVONIK OPERATIONS GMBH (DE) 2007-11-08 US claimed
EP-1852448-A2 New trimerization catalysts from sterically hindered salts Air Products and Chemicals, Inc. (US) 2007-11-07 EP claimed
EP-3110546-B1 METHOD FOR MAKING A POLYISOCYANURATE/POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2022-03-30 EP disclosed
CN-107922564-B Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate-reactive groups 赢创运营有限公司 2021-10-19 CN disclosed
US-20070259983-A1 Trimerization catalysts from sterically hindered salts EVONIK OPERATIONS GMBH (DE) 2007-11-08 US disclosed
EP-1852448-A2 New trimerization catalysts from sterically hindered salts Air Products and Chemicals, Inc. (US) 2007-11-07 EP disclosed