Ethyne

Ethyne

SCHEMBL5537552

C#C.CCCOC(=O)OC

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
ALDH1A1 P00352 6/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
ACHE P22303 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35

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
SCHEMBL126591 0.95
Fluoride SCHEMBL29068328 0.92
Hydrochloric Acid SCHEMBL38664482 0.92
SCHEMBL2344942 0.92 ALDH1A1 (0.46) HCAR2ALDH1A1CA1CA2LMNA
SCHEMBL17471832 0.90 ALDH1A1 (0.43) HCAR2ALDH1A1CA1CA2LMNA
Bicarbonate SCHEMBL21176663 0.90 HCAR2 (0.45) HCAR2ALDH1A1CA1CA2LMNA
Bicarbonate SCHEMBL21176662 0.90 HCAR2 (0.45) HCAR2ALDH1A1CA1CA2LMNA
SCHEMBL27622120 0.88 HCAR2 (0.43) HCAR2ALDH1A1CA1CA2LMNA
SCHEMBL28326345 0.88 ALDH1A1 (0.55) HCAR2ALDH1A1CA1CA2LMNA
SCHEMBL21352295 0.87 ALDH1A1 (0.46) HCAR2ALDH1A1CA1CA2LMNA

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