Ethane

Ethane

SCHEMBL4422248

CC.Pc1ccccc1.Pc1ccccc1

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ACHE P22303 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
ALDH1A1 P00352 2/20 0.38
CA4 P22748 2/20 0.35
TP53 P04637 1/20 0.35
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
CA2 P00918 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CA12 O43570 1/20 0.33
GLA P06280 1/20 0.33
CA3 P07451 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA7 P43166 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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 SCHEMBL4423645 1.00
SCHEMBL8671671 0.92
Benzene SCHEMBL28128746 0.92 ALDH1A1 (0.43) TSHRACHELMNAALOX12ALDH1A1
SCHEMBL49436 0.92
Bromomethane SCHEMBL15201196 0.89
Fluoride SCHEMBL8464428 0.88
Bromide SCHEMBL10514507 0.88 ALDH1A1 (0.40) TSHRACHELMNAALOX12ALDH1A1
Fluoride SCHEMBL7938034 0.88 ALDH1A1 (0.40) TSHRACHELMNAALOX12ALDH1A1
Water SCHEMBL22231695 0.88
SCHEMBL20597177 0.88 ALDH1A1 (0.40) TSHRACHELMNAALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756190-B1 RADICALLY CURABLE RESIN COMPOSITIONS DSM IP ASSETS BV (NL) 2009-01-21 EP disclosed
US-20080275203-A1 Radically Curable Resin Compositions DSM IP ASSETS B.V. (NL) 2008-11-06 US disclosed
EP-1756190-A1 RADICALLY CURABLE RESIN COMPOSITIONS DSMIP Assets B.V. (NL) 2007-02-28 EP disclosed
WO-2005100436-A1 RADICALLY CURABLE RESIN COMPOSITIONS DSM IP ASSETS B.V. (NL) 2005-10-27 WO disclosed
EP-1586596-A1 Radically curable resin compositions DSM IP Assets B.V. (NL) 2005-10-19 EP disclosed