SCHEMBL1894660

SCHEMBL1894660

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

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.32

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
SCHEMBL5843324 0.89 BHMT (0.31) BHMT
SCHEMBL14954376 0.88 CYP1A2 (0.32) BHMT
SCHEMBL1897323 0.88 BHMT (0.36) BHMT
SCHEMBL1894658 0.88 BHMT (0.36) BHMT
SCHEMBL9225222 0.88 BHMT (0.36) BHMT
SCHEMBL14954311 0.86
SCHEMBL7899466 0.83 BHMT (0.33) BHMT
SCHEMBL7217654 0.83 BHMT (0.33) BHMT
SCHEMBL1894656 0.83 ALDH1A1 (0.31)
SCHEMBL16338123 0.82 CA2 (0.38)

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 5 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