SCHEMBL2349295

SCHEMBL2349295

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.40
FABP3 P05413 9/20 0.35
CA1 P00915 1/20 0.34
NFKB1 P19838 1/20 0.34
GPR84 Q9NQS5 1/20 0.33

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 0.94 BBOX1 (0.42) BBOX1FABP3CA1NFKB1GPR84
SCHEMBL2350004 0.88 BBOX1 (0.37) BBOX1CA1NFKB1GPR84
SCHEMBL28210366 0.87 FFAR4 (0.39) FABP3NFKB1GPR84
Tetrylammonium SCHEMBL2346169 0.86 BBOX1 (0.44) BBOX1FABP3CA1
SCHEMBL2350585 0.85 BBOX1 (0.45) BBOX1NFKB1
Palmitic Acid SCHEMBL15402651 0.84 FABP3 (0.50) BBOX1FABP3CA1NFKB1GPR84
SCHEMBL28490712 0.80 CA1 (0.46) BBOX1FABP3CA1NFKB1GPR84
Tetrapropylammonium SCHEMBL2347481 0.80 FABP3 (0.47) BBOX1FABP3CA1
SCHEMBL4916788 0.79 BBOX1 (0.48) BBOX1FABP3CA1
Tetrylammonium SCHEMBL2350656 0.79 BBOX1 (0.47) BBOX1FABP3CA1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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
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
EP-3310827-B1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS EVONIK OPERATIONS GMBH (DE) 2021-01-06 EP disclosed
US-10759892-B2 Trimerization catalysts from sterically hindered salts and tertiary amines having isocyanate reactive groups EVONIK OPERATIONS GMBH (DE) 2020-09-01 US disclosed
US-20180179318-A1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AND TERTIARY AMINES HAVING ISOCYANATE REACTIVE GROUPS EVONIK OPERATIONS GMBH (DE) 2018-06-28 US disclosed
US-20130341562-A1 TRIMERIZATION CATALYSTS FROM STERICALLY HINDERED SALTS AIR PRODUCTS AND CHEMICALS INC. (US) 2013-12-26 US disclosed
US-8530534-B2 Trimerization catalysts from sterically hindered salts AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-09-10 US disclosed
EP-1852448-B1 New trimerization catalysts from sterically hindered salts AIR PROD & CHEM (US) 2011-08-31 EP 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