SCHEMBL1894893

SCHEMBL1894893

CCCCC(CC)C(=O)OCC(CO)(CO)COCC(CO)(CO)CO

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.53
CA1 P00915 4/20 0.53
MAPK1 P28482 1/20 0.44
ATM Q13315 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
USP2 O75604 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
SCHEMBL1899775 0.95 CA2 (0.51) CA2CA1MAPK1ATMGAA
SCHEMBL187925 0.94 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL2806008 0.94 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL30444736 0.92 CA2 (0.58) CA2CA1MAPK1ATMGAA
SCHEMBL31396735 0.90 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL813789 0.87 CA2 (0.56) CA2CA1MAPK1ATMGAA
SCHEMBL1004665 0.87 CA2 (0.56) CA2CA1MAPK1ATMGAA
SCHEMBL9960580 0.87 CA2 (0.63) CA2CA1MAPK1ATMGAA
SCHEMBL93763 0.87 CA2 (0.63) CA2CA1MAPK1ATMGAA
2-Ethylhexanoic Acid SCHEMBL1894896 0.84 CA2 (0.67) CA2CA1MAPK1ATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1008643-B1 Refrigerator oil composition, and method of using the composition for lubrication IDEMITSU KOSAN CO (JP) 2014-12-03 EP disclosed
EP-2325290-A1 Refrigerator oil composition, and method of using the composition for lubrication IDEMITSU KOSAN CO., LTD. (JP) 2011-05-25 EP 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-5073316-A Polyolefin resin, filler and an ester of dipentaerythritol; tear strength, permeability; sanitary absorbers MITSUBISHI KASEI VINYL COMPANY (JP) 1991-12-17 US disclosed