Ethane

Ethane

SCHEMBL4602786

CC.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.41
TYR P14679 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 5/20 0.37
SRD5A2 P31213 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
ALDH1A1 P00352 4/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
KIF11 P52732 2/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 3/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 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
Ethane SCHEMBL2439613 1.00 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
SCHEMBL244777 0.98 TSHR (0.44) TSHRLMNATYRL3MBTL1MAPT
SCHEMBL107752 0.98 TSHR (0.44) TSHRLMNATYRL3MBTL1MAPT
Water SCHEMBL7702884 0.95 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
Hydrochloric Acid SCHEMBL3748986 0.95 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
Bromide SCHEMBL3132525 0.95 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
Iodide SCHEMBL5461188 0.95 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
Bromide SCHEMBL3742452 0.95 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
Bromide SCHEMBL482438 0.95 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT
Methane SCHEMBL2436367 0.95 TSHR (0.42) TSHRLMNATYRL3MBTL1MAPT

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-1915360-A2 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2008-04-30 EP claimed
WO-2007007175-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIAL USA CORP. (DE) 2007-01-18 WO claimed
US-9146467-B2 Coating compositions MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20130236833-A1 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-09-12 US disclosed