Ethyne

Ethyne

SCHEMBL864028

C#C.c1csc(-c2cccs2)c1

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
HSD17B10 Q99714 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
NFKB2 Q00653 1/20 0.48

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
SCHEMBL16291133 0.93 L3MBTL1 (0.57) L3MBTL1ALDH1A1KDM4EMEN1HPGD
SCHEMBL3545 0.93 L3MBTL1 (0.57) L3MBTL1ALDH1A1KDM4EMEN1HPGD
SCHEMBL29776515 0.90 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EMEN1HPGD
SCHEMBL30398774 0.90 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EMEN1HPGD
Bromide SCHEMBL30467088 0.90 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EMEN1HPGD
Benzene SCHEMBL28420098 0.90 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EMEN1HPGD
Fluoride SCHEMBL491501 0.90 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EMEN1HPGD
SCHEMBL30570956 0.90 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EMEN1HPGD
Hydrogen Sulfide SCHEMBL22588115 0.90 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EMEN1HPGD
Ammonia Solution, Strong SCHEMBL34467257 0.90 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106699827-A Extended type fluorescent nucleoside analog and preparing method thereof 江南大学 2017-05-24 CN disclosed
CN-104755483-B Thieno [2,3-C ] pyrrole-dione derivatives and their use in organic semiconductors E.T.C.有限责任公司 2017-05-10 CN disclosed
CN-104755483-A Thieno [2,3-C ] pyrrole-dione derivatives and their use in organic semiconductors E T C SRL 2015-07-01 CN disclosed
CN-102459398-B Fused bithiophene-vinylene polymers BASF SE 2014-07-09 CN disclosed
EP-2438104-B1 FUSED BITHIOPHENE-VINYLENE POLYMERS BASF SE (DE) 2014-04-30 EP disclosed
US-8466460-B2 Fused bithiophene-vinylene polymers BASF SE (DE) 2013-06-18 US disclosed
US-8466460-B2 Fused bithiophene-vinylene polymers BASF SE (DE) 2013-06-18 US disclosed
CN-102459398-A Fused bithiophene-vinylene polymers BASF SE 2012-05-16 CN disclosed
EP-2438104-A1 FUSED BITHIOPHENE-VINYLENE POLYMERS BASF SE (DE) 2012-04-11 EP disclosed
US-20120074410-A1 FUSED BITHIOPHENE-VINYLENE POLYMERS POLYERA CORPORATION (US) 2012-03-29 US disclosed
WO-2010149451-A1 FUSED BITHIOPHENE-VINYLENE POLYMERS BASF SE (DE) 2010-12-29 WO disclosed