Ethyne

Ethyne

SCHEMBL5537435

C#C.CCC(C)OC(=O)O

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TSHR P16473 4/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
TBXA2R P21731 1/20 0.32
LMNA P02545 4/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C9 P11712 1/20 0.31
GALR3 O60755 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR3 O14843 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL13195784 0.95
SCHEMBL149835 0.95
SCHEMBL25435789 0.95 MAPT (0.41) MAPTTSHRCHRM2CHRM4CHRM1
SCHEMBL13195782 0.95
Ethane SCHEMBL11331565 0.92 MAPT (0.40) MAPTTSHRCHRM2CHRM4CHRM1
Methane SCHEMBL16648887 0.92
Hydrochloric Acid SCHEMBL11861052 0.92
Carbon Dioxide SCHEMBL27969409 0.88 MAPT (0.38) MAPTTSHRCHRM2CHRM4CHRM1
SCHEMBL17780101 0.86 MAPT (0.37) MAPTTSHRCHRM2CHRM4CHRM1
Butanone SCHEMBL28528843 0.86 ALDH1A1 (0.46) MAPTTSHRCHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070178379-A1 Non-aqueous electrolyte secondary battery and non-aqueous electrolyte SANYO ELECTRIC CO., LTD. (JP) 2007-08-02 US disclosed
EP-1806806-A1 NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY AND NON-AQUEOUS ELECTROLYTE Sanyo Electric Co., Ltd. (JP) 2007-07-11 EP disclosed