SCHEMBL4947713

SCHEMBL4947713

CC(C)(O)C#CCOC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL27780389 0.79
SCHEMBL27780457 0.76 LMNA (0.32)
SCHEMBL16286097 0.75 KMT2A (0.31)
SCHEMBL28960933 0.72 HMGCR (0.30) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL26045086 0.72
SCHEMBL14118328 0.72
SCHEMBL16286096 0.71
SCHEMBL15121266 0.70
Bicarbonate SCHEMBL28960934 0.70 ALDH1A1 (0.35) HMGCRCHRM1TBXA2RADRA1AALDH1A1
SCHEMBL27801929 0.70 KDM4E (0.49) CHRM1TBXA2RADRA1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1199766-B1 Non-aqueous secondary battery having enhanced discharge capacity retention UBE INDUSTRIES (JP) 2008-05-28 EP disclosed
US-6866966-B2 Efficiency UBE INDUSTRIES, LTD. (JP) 2005-03-15 US disclosed
US-20020122988-A1 Efficiency UBE INDUSTRIES, LTD. (JP) 2002-09-05 US disclosed
EP-1199766-A2 Non-aqueous secondary battery having enhanced discharge capacity retention Ube Industries, Ltd. (JP) 2002-04-24 EP disclosed