SCHEMBL664811

SCHEMBL664811

CCC(C)[C@@H]1C[C@H](C)OC1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ACE P12821 1/20 0.36
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL13930055 1.00 KMT2A (0.36) KMT2AMEN1ACEALDH1A1GAA
SCHEMBL664239 0.82 KMT2A (0.37) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL14360218 0.79 KMT2A (0.40) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL663294 0.77 KMT2A (0.33) KMT2AMEN1CA1CA9TP53
SCHEMBL5059262 0.77 KMT2A (0.33) KMT2AMEN1CA1CA9TP53
SCHEMBL6903692 0.71 SOAT1 (0.31) ACECA1CA9
SCHEMBL14600828 0.71 SOAT1 (0.31) ACECA1CA9
SCHEMBL25510854 0.69
SCHEMBL20021671 0.69 ACE (0.31) ACE
SCHEMBL18978616 0.69 GHSR (0.39) ALDH1A1CA1CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543310-B2 COMPOSITIONS COMPRISING HFC-1234YF AND HFC-32 CHEMOURS CO FC LLC (US) 2024-07-03 EP disclosed
EP-3299435-B1 METHOD OF PREPARING A COMPOSITION COMPRISING HFC-1234YF CHEMOURS CO FC LLC (US) 2024-06-26 EP disclosed
EP-3309233-B2 COMPOSITIONS COMPRISING HFC-1234YF AND HFC-152A CHEMOURS CO FC LLC (US) 2024-02-21 EP disclosed
EP-2749623-B2 Method for replacing a high GWP refrigerant in a refrigeration, air-conditioning, or heat pump apparatus CHEMOURS CO FC LLC (US) 2024-02-21 EP disclosed
US-20230265330-A1 COMPOSITIONS COMPRISING A FLUOROOLEFIN THE CHEMOURS COMPANY FC, LLC (US) 2023-08-24 US disclosed
US-11674067-B2 Compositions comprising a fluoroolefin THE CHEMOURS COMPANY FC, LLC (US) 2023-06-13 US disclosed
US-20220389298-A1 COMPOSITIONS COMPRISING A FLUOROOLEFIN THE CHEMOURS COMPANY FC, LLC (US) 2022-12-08 US disclosed
US-20220389297-A1 COMPOSITIONS COMPRISING A FLUOROOLEFIN THE CHEMOURS COMPANY FC, LLC (US) 2022-12-08 US disclosed
EP-4074807-A1 COMPOSITIONS COMPRISING A FLUOROOLEFIN The Chemours Company FC, LLC (US) 2022-10-19 EP disclosed
EP-1985680-B2 Composition comprising a HFC-1234ze isomer CHEMOURS CO FC LLC (US) 2022-06-29 EP disclosed
US-20050156139-A1 1-Ethoxy-1,1,2,2,3,3,4,4,4,-nonafluorobutane refrigerant compositions comprising a fluoroether and uses thereof E. I. DU PONT DE NEMOURS AND COMPANY 2005-07-21 US disclosed
US-20050156134-A1 1,1,1,2,2,3,3,4,4,-Nonafluoro-4-methoxybutane refrigerant compositions comprising a fluoroether and uses thereof E. I. DU PONT DE NEMOURS AND COMPANY 2005-07-21 US disclosed
US-20050151113-A1 Hydrofluorocarbon refrigerant compositions and uses thereof E. I. DU PONT DE NEMOURS AND COMPANY 2005-07-14 US disclosed
US-20050151110-A1 Fluoroether refrigerant compositions and uses thereof E. I. DU PONT DE NEMOURS AND COMPANY 2005-07-14 US disclosed
US-20050151112-A1 1,1,1,2,2,3,3,4,4-Nonafluoro-4-methoxybutane refrigerant compositions comprising hydrofluorocarbon, and uses thereof E. I. DU PONT DE NEMOURS AND COMPANY 2005-07-14 US disclosed
US-20050151111-A1 1,1,1,3,3-Pentafluorobutane refrigerant or heat transfer fluid compositions comprising hydrofluorocarbon and uses thereof E. I. DU PONT DE NEMOURS AND COMPANY 2005-07-14 US disclosed
US-20050145822-A1 Refrigerant compositions comprising UV fluorescent dye and solubilizing agent E. I. DU PONT DE NEMOURS AND COMPANY 2005-07-07 US disclosed
US-20050127321-A1 Compositions containing lactone compatibilizers E. I. DU PONT DE NEMOURS AND COMPANY 2005-06-16 US disclosed
US-20050109978-A1 Refrigerant compositions comprising performance enhancing additives LECK THOMAS J (US) 2005-05-26 US disclosed
US-6841088-B2 Fluorocarbon, oxygenated and non-oxygenated lubricant, and compatibilizer composition, and method for replacing refrigeration composition in a refrigeration system E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-01-11 US disclosed