SCHEMBL9618441

SCHEMBL9618441

CC(C)(CCO)OC(=O)/C=C/C(=O)OC(C)(C)CCO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
GAA P10253 1/20 0.32
ATM Q13315 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
SCHEMBL9618443 0.92 HCAR2 (0.44) HCAR2KEAP1NFE2L2
SCHEMBL9618442 0.92 HCAR2 (0.44) HCAR2KEAP1NFE2L2
SCHEMBL18458288 0.83 HCAR2 (0.41) HCAR2KEAP1NFE2L2
SCHEMBL868946 0.83 TSHR (0.43) GAA
SCHEMBL9328076 0.82 ATM (0.40) HCAR2KEAP1NFE2L2GAAATM
SCHEMBL4583814 0.82 ATM (0.40) HCAR2KEAP1NFE2L2GAAATM
SCHEMBL4583805 0.82 ATM (0.40) HCAR2KEAP1NFE2L2GAAATM
SCHEMBL8099897 0.80 HCAR2 (0.33) HCAR2KEAP1NFE2L2GAAATM
SCHEMBL16256527 0.78 HCAR2 (0.37) HCAR2KEAP1NFE2L2GAAATM
SCHEMBL7949513 0.78 ATM (0.47) HCAR2KEAP1NFE2L2ATM

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
JP-4332704-A None JP disclosed
US-8895691-B2 Acid-labile polymers and monomers for their construction THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2014-11-25 US disclosed
US-8895691-B2 Acid-labile polymers and monomers for their construction THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2014-11-25 US disclosed
US-20110152496-A1 ACID-LABILE POLYMERS AND MONOMERS FOR THEIR CONSTRUCTION THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-06-23 US disclosed
US-20110152496-A1 ACID-LABILE POLYMERS AND MONOMERS FOR THEIR CONSTRUCTION THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-06-23 US disclosed
JP-H04332704-A HYDROUS SOFT CONTACT LENS NIPPON OIL & FATS CO LTD 1992-11-19 JP disclosed