SCHEMBL1897323

SCHEMBL1897323

CC(CC(=O)O)CC(C)(C)C.OCC(CO)(CO)CO

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.36
CYP1A2 P05177 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31

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
SCHEMBL9225222 1.00 BHMT (0.36) BHMTCYP1A2ALDH1A1SLC22A6CACNA2D1
SCHEMBL1894658 1.00 BHMT (0.36) BHMTCYP1A2ALDH1A1SLC22A6CACNA2D1
SCHEMBL7899466 0.91 BHMT (0.33) BHMT
SCHEMBL7217654 0.91 BHMT (0.33) BHMT
SCHEMBL143938 0.89 SLC22A6 (0.38) BHMTCYP1A2ALDH1A1SLC22A6CACNA2D1
SCHEMBL7898180 0.88 BHMT (0.33) BHMTCYP1A2ALDH1A1SLC22A6CACNA2D1
SCHEMBL7228515 0.88 BHMT (0.33) BHMTCYP1A2ALDH1A1SLC22A6CACNA2D1
SCHEMBL1894660 0.88 BHMT (0.32) BHMT
3-Methylbutanoic Acid SCHEMBL18167431 0.88 ALDH1A1 (0.37) BHMTCYP1A2ALDH1A1SLC22A6CACNA2D1
SCHEMBL22396502 0.87 BHMT (0.36) BHMTCYP1A2ALDH1A1SLC22A6CACNA2D1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325290-A1 Refrigerator oil composition, and method of using the composition for lubrication IDEMITSU KOSAN CO., LTD. (JP) 2011-05-25 EP disclosed
CN-1197840-C Method for producing ester NIPPON OILS & FATS CO LTD (JP) 2005-04-20 CN disclosed
US-6759373-B2 CONTAINING POLYOXYALKYLENE GLYCOL BASE OIL AND CARBONATE DERIVATIVE OR POLYMER; HALOGEN FREE; ANTIWEAR; LUBRICITY; MISCIBILITY; LONG TERM STABILITY UNDER HIGH TEMPERATURE AND PRESSURE CONDITIONS IDEMITSU KOSAN CO., LTD. (JP) 2004-07-06 US disclosed
CN-1449374-A Process for producing ester NIPPON OILS & FATS CO LTD (JP) 2003-10-15 CN disclosed
US-20030032563-A1 Refrigerating machine oil composition for carbon dioxide refrigerant IDEMITSU KOSAN CO., LTD. (JP) 2003-02-13 US disclosed
US-6354094-B2 CO2 REFRIGERANT; ESTER-BASED LUBRICATING OIL SUCH AS A MIXED C 8-9 MIXED BRANCHED FATTY ACID ESTER OF PENTAERYTHRITOL OR A CARBONATE; CAN BE STABLY USED FOR A LONG PERIOD OF TIME IN A COMPRESSION REFRIGERATION CYCLE IDEMITSU KOSAN CO., LTD. (JP) 2002-03-12 US disclosed
US-6263683-B1 CARBON DIOXIDE AS ESSENTIAL COMPONENT AND A ESTER OF PENTAERYTHRITOL WITH C8-C9 FATTY ACID IDEMITSU KOSAN CO., LTD. (JP) 2001-07-24 US disclosed
EP-1008643-A2 Refrigerator oil composition, and method of using the composition for lubrication IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-06-14 EP disclosed
US-5202044-A Mixture of fluorohydrocarbon, epoxycyclo(pentane or hexane), and ester KAO CORPORATION (JP) 1993-04-13 US disclosed