SCHEMBL2349995

SCHEMBL2349995

CC(O)CNC(C)(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
CYP2D6 P10635 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
KCNN4 O15554 1/20 0.39
DPP4 P27487 1/20 0.38
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
ADRB3 P13945 2/20 0.38
TRPA1 O75762 1/20 0.38
SLC6A4 P31645 1/20 0.38
HIF1A Q16665 2/20 0.38
NFKB1 P19838 1/20 0.38
LMNA P02545 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
Methacrylic Acid SCHEMBL2345825 0.87 BACE1 (0.44) BACE1ALDH1A1DPP4ADRB2ADRB1
Acrylic Acid SCHEMBL2348761 0.87 BACE1 (0.44) BACE1CYP2D6ALDH1A1CYP1A2DPP4
SCHEMBL27243562 0.82 KCNN4 (0.55) CYP2D6ALDH1A1CYP1A2KCNN4ADRB2
SCHEMBL27243564 0.82 KCNN4 (0.55) CYP2D6ALDH1A1CYP1A2KCNN4ADRB2
SCHEMBL14043085 0.82 KCNN4 (0.55) CYP2D6ALDH1A1CYP1A2KCNN4ADRB2
SCHEMBL6741704 0.78 BACE1 (0.39) BACE1CYP2D6KCNN4SLC6A4
SCHEMBL5805095 0.78 KCNN4 (0.41) CYP2D6ALDH1A1CYP1A2KCNN4ADRB2
SCHEMBL4194615 0.77 BACE1 (0.40) BACE1CYP2D6KCNN4DPP4SLC6A4
SCHEMBL11128534 0.77 TAAR1 (0.41) CYP2D6ALDH1A1CYP1A2KCNN4SLC6A4
SCHEMBL30318970 0.76 BACE1 (0.46) BACE1CYP2D6ALDH1A1DPP4ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118613517-A Preparation and use of polyisocyanates containing iminooxadiazinedione groups 巴斯夫欧洲公司 2024-09-06 CN claimed
EP-3805285-B1 PREPARATION OF POLYURETHANE RIGID FOAM EVONIK OPERATIONS GMBH (DE) 2024-07-10 EP claimed
EP-3481878-B1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2024-05-22 EP claimed
EP-4323420-A1 PRODUCTION OF HARD POLYURETHANE OR POLYISOCYANURATE FOAM Evonik Operations GmbH (DE) 2024-02-21 EP claimed
US-20220403089-A1 PRODUCTION OF RIGID POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2022-12-22 US claimed
WO-2022218657-A1 PRODUCTION OF HARD POLYURETHANE OR POLYISOCYANURATE FOAM EVONIK OPERATIONS GMBH (DE) 2022-10-20 WO claimed
WO-2021069164-A1 PRODUCTION OF RIGID POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2021-04-15 WO claimed
EP-3805285-A1 PREPARATION OF POLYURETHANE RIGID FOAM Evonik Operations GmbH (DE) 2021-04-14 EP claimed
EP-3144332-B1 NEW TRIMER CATALYST ADDITIVES FOR IMPROVING FOAM PROCESSABILITY EVONIK OPERATIONS GMBH (DE) 2020-10-21 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-8445555-B2 Stabilized carbanions as trimerization catalysts AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-05-21 US claimed
EP-1852448-B1 New trimerization catalysts from sterically hindered salts AIR PROD & CHEM (US) 2011-08-31 EP claimed
US-20080015274-A1 Stabilized carbanions as trimerization catalysts EVONIK OPERATIONS GMBH (DE) 2008-01-17 US claimed
EP-1878493-A1 Stabilized carbanions as trimerization catalysts Air Products and Chemicals, Inc. (US) 2008-01-16 EP claimed
US-20070259982-A1 Trimer catalysts with improved processability and surface cure EVONIK OPERATIONS GMBH (DE) 2007-11-08 US claimed
US-20070259773-A1 Trimer catalyst additives for improving foam processability EVONIK OPERATIONS GMBH (DE) 2007-11-08 US claimed
US-20070259983-A1 Trimerization catalysts from sterically hindered salts EVONIK OPERATIONS GMBH (DE) 2007-11-08 US claimed
EP-1852449-A2 New trimer catalyst with improved processability and surface cure Air Products and Chemicals, Inc. (US) 2007-11-07 EP claimed
EP-1852450-A2 New trimer catalyst additives for improving foam processability Air Products and Chemicals, Inc. (US) 2007-11-07 EP claimed
EP-1852448-A2 New trimerization catalysts from sterically hindered salts Air Products and Chemicals, Inc. (US) 2007-11-07 EP claimed