SCHEMBL5406944

SCHEMBL5406944

CCCCCCCCCCCCN(CCCCCCCCCCCC)CCNCCNCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.44
CA12 O43570 3/20 0.44
CA6 P23280 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CA2 P00918 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA5A P35218 2/20 0.44
CA1 P00915 1/20 0.44
ALOX15 P16050 1/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.42
DNM1 Q05193 10/20 0.41

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
SCHEMBL8002611 1.00 CYP2C9 (0.48) CYP2C9CYP2C19ALDH1A1CA12CA6
SCHEMBL28364727 1.00 CYP2C9 (0.48) CYP2C9CYP2C19ALDH1A1CA12CA6
SCHEMBL7788518 0.98 CYP2C9 (0.50) CYP2C9CYP2C19ALDH1A1CA12CA6
SCHEMBL3201509 0.98 CYP2C9 (0.50) CYP2C9CYP2C19ALDH1A1CA12CA6
SCHEMBL18114372 0.98 CYP2C9 (0.50) CYP2C9CYP2C19ALDH1A1CA12CA6
SCHEMBL11520236 0.94 ALDH1A1 (0.50) CYP2C9CYP2C19ALDH1A1CA12CA6
SCHEMBL18236339 0.94 CYP2C9 (0.47) CYP2C9CYP2C19ALDH1A1CA12CA6
SCHEMBL10422824 0.94 CYP2C9 (0.48) CYP2C9CYP2C19ALDH1A1CA12CA6
SCHEMBL11523478 0.92 TSHR (0.52) CYP2C9CYP2C19ALDH1A1CA12CA6
SCHEMBL3453037 0.90 CYP2C19 (0.54) CYP2C9CYP2C19ALDH1A1CA12CA6

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
CN-117730135-A Water-based semi-synthetic metalworking fluid composition 陶氏环球技术有限责任公司 2024-03-19 CN disclosed
CN-116940657-A Metal working fluid biocide 陶氏环球技术有限责任公司 2023-10-24 CN disclosed
CN-116568817-A Foam control agent 陶氏环球技术有限责任公司 2023-08-08 CN disclosed
CN-116529435-A Paper and pulp foam control agent 陶氏环球技术有限责任公司 2023-08-01 CN disclosed
CN-116507605-A Metal working fluid foam control agent 陶氏环球技术有限责任公司 2023-07-28 CN disclosed
CN-116490599-A Industrial and institutional cleaning foam control agents 陶氏环球技术有限责任公司 2023-07-25 CN disclosed
CN-116419911-A Waste water foam control agent 美国陶氏有机硅公司 2023-07-11 CN disclosed
CN-116347979-A Agricultural product foam control agent 陶氏环球技术有限责任公司 2023-06-27 CN disclosed
US-11525102-B2 Metal-working fluid compositions and methods for making KRATON POLYMERS LLC (US) 2022-12-13 US disclosed
US-20220195326-A1 Metal-working Fluid Compositions and Methods for Making KRATON POLYMERS LLC (US) 2022-06-23 US disclosed
WO-2001042405-A9 WATER SOLUBLE VEGETABLE OIL ESTERS FOR INDUSTRIAL APPLICATIONS CARGILL INC (US) 2002-08-15 WO disclosed
US-6271185-B1 TRANSESTERIFICATION VEGETABLE OIL WITH TRIETHANOLAMINE CARGILL, INCORPORATED 2001-08-07 US disclosed
WO-2001042405-A2 WATER SOLUBLE VEGETABLE OIL ESTERS FOR INDUSTRIAL APPLICATIONS CARGILL INCORPORATED (US) 2001-06-14 WO disclosed
US-5667349-A Method of making pull tabs and lubricant therefor CINCINNATI MILACRON INC. (US) 1997-09-16 US disclosed
US-4978465-A Sulfurized metalworking lubricants derived from modified natural fats and oils and formulations CINCINNATI-VULCAN COMPANY (US) 1990-12-18 US disclosed
US-4885104-A REACTION PRODUCTS WITH HINDERED POLYOLS AND DICARBOXYLIC ACIDS (OR ESTERS); IMPROVED VISCOSITY CINCINNATI-VULCAN COMPANY (US) 1989-12-05 US disclosed
US-4452710-A AMINE SALTS OF CARBOXYLIC ACID TERMINATED AMIDES CINCINNATI MILACRON INC. (US) 1984-06-05 US disclosed
US-4383937-A Aqueous functional fluid compositions CINCINNATI MILACRON INC. (US) 1983-05-17 US disclosed
US-4379063-A Novel functional fluid CINCINNATI MILACRON INC. (US) 1983-04-05 US disclosed
US-4021365-A AMIDES DIAMOND SHAMROCK CORPORATION (US) 1977-05-03 US disclosed