SCHEMBL2743763

SCHEMBL2743763

C=CC(=O)OC(C)c1ccccc1C(C)(C)N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
CYP2C19 P33261 3/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
THRB P10828 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ELANE P08246 1/20 0.31
TSHR P16473 1/20 0.30
LPAR1 Q92633 1/20 0.30
CYP2C9 P11712 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
Hydrochloric Acid SCHEMBL2470314 0.99 HCAR2 (0.36) HCAR2CYP2C19ALDH1A1CYP3A4THRB
Trifluoromethanesulfonic Acid SCHEMBL16108557 0.90 HCAR2 (0.32) HCAR2
SCHEMBL20102166 0.88 HCAR2 (0.39) HCAR2CYP2C19ALDH1A1CYP3A4THRB
SCHEMBL8767852 0.86 HCAR2 (0.37) HCAR2CYP2C19ALDH1A1CYP3A4THRB
Hydrochloric Acid SCHEMBL5399306 0.84 HCAR2 (0.34) HCAR2CYP2C19THRBCYP1A2TSHR
Hydrochloric Acid SCHEMBL9794907 0.84 HCAR2 (0.40) HCAR2CYP2C19ALDH1A1THRBCYP1A2
SCHEMBL28929655 0.82 CYP2C19 (0.33) CYP2C19ALDH1A1CYP3A4THRBCYP2D6
Hydrochloric Acid SCHEMBL28562162 0.82 HCAR2 (0.35) HCAR2CYP2C19ALDH1A1CYP3A4LPAR1
Hydrochloric Acid SCHEMBL3910415 0.81 CYP2C19 (0.33) CYP2C19ALDH1A1CYP3A4THRBCYP2D6
SCHEMBL3102757 0.80 ATM (0.35) CYP2C19ALDH1A1CYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220178797-A1 POLYCATIONIC QUATERNARY AMMONIUM POLYMER COATINGS FOR IMMOBILIZING BIOLOGICAL SAMPLES TRIPATH IMAGING, INC. 2022-06-09 US claimed
US-10745608-B2 Cleaning and removal of wax deposits in oil and gas wells using cationic polymers ECOLAB USA INC. (US) 2020-08-18 US claimed
WO-2017019665-A1 CLEANING AND REMOVAL OF WAX DEPOSITS IN OIL AND GAS WELLS USING CATIONIC POLYMERS ECOLAB USA INC. (US) 2017-02-02 WO claimed
US-20170029691-A1 CLEANING AND REMOVAL OF WAX DEPOSITS IN OIL AND GAS WELLS USING CATIONIC POLYMERS APERGY BMCS ACQUISITION CORP 2017-02-02 US claimed
WO-2014123847-A1 COMPOSITIONS AND METHODS FOR INHIBITING CONTAMINATION OF CYTOLOGICAL SAMPLES TRIPATH IMAGING, INC. (US) 2014-08-14 WO claimed
US-8617895-B2 Polycationic quaternary ammonium polymer coatings for immobilizing biological samples TRIPATH IMAGING, INC. (US) 2013-12-31 US claimed
EP-1800129-B1 POLYCATIONIC POLYMER COATINGS FOR IMMOBILIZING BIOLOGICAL SAMPLES TRIPATH IMAGING INC (US) 2013-04-10 EP claimed
EP-1800129-A1 POLYCATIONIC POLYMER COATINGS FOR IMMOBILIZING BIOLOGICAL SAMPLES Tripath Imaging, Inc. (US) 2007-06-27 EP claimed
US-20060073510-A1 Polycationic polymer coatings for immobilizing biological samples TRIPATH IMAGING, INC. 2006-04-06 US claimed
WO-2006034385-A1 POLYCATIONIC POLYMER COATINGS FOR IMMOBILIZING BIOLOGICAL SAMPLES TRIPATH IMAGING, INC. (US) 2006-03-30 WO claimed
US-5708071-A FLOCCULATION, SEWAGE TREATMENT HYMO CORPORATION (JP) 1998-01-13 US claimed
EP-0717056-A2 An aqueous dispersion of an amphoteric water-soluble polymer, a method of manufacturing the same, and a treating agent comprising the same HYMO CORPORATION (JP) 1996-06-19 EP claimed
JP-9078487-A None JP disclosed
JP-9078488-A None JP disclosed
JP-9078482-A None JP disclosed
JP-8300000-A None JP disclosed
JP-H0978487-A IMPROVING AGENT FOR YIELD OF FILLER HYMO CORP 1997-03-25 JP disclosed
JP-H08300000-A SLUDGE DEHYDRATING AGENT AND SLUDGE DEHYDRATING METHOD HYMO CORP 1996-11-19 JP disclosed
JP-H08290161-A PRESSURE FLOATING AGENT AND PRESSURE TREATMENT HYMO CORP 1996-11-05 JP disclosed
EP-0717056-A2 An aqueous dispersion of an amphoteric water-soluble polymer, a method of manufacturing the same, and a treating agent comprising the same HYMO CORPORATION (JP) 1996-06-19 EP disclosed