Ethyne

Ethyne

SCHEMBL9696077

C#C.C#C.CC(C)OC(N)=O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
LMNA P02545 4/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 1/20 0.43
HCAR2 Q8TDS4 1/20 0.37
CRBN Q96SW2 1/20 0.35
CA12 O43570 5/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA9 Q16790 5/20 0.33
CA7 P43166 3/20 0.33
CA14 Q9ULX7 3/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL23258 0.94
Water SCHEMBL28139092 0.91
Ammonia Solution, Strong SCHEMBL27843275 0.91
Hydrochloric Acid SCHEMBL10630811 0.91
Fluoride SCHEMBL28038077 0.91
Hydrochloric Acid SCHEMBL28593462 0.91
Methoxymethane SCHEMBL9303485 0.88 TSHR (0.48) TSHRLMNACHRM2CHRM4CHRM5
Formaldehyde SCHEMBL10947536 0.88
Isopropylamine SCHEMBL9998407 0.88 TSHR (0.48) TSHRLMNACHRM2CHRM4CHRM5
Carbamic Acid SCHEMBL10920660 0.88 TSHR (0.48) TSHRLMNACHRM2CHRM4CHRM5

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
US-5158862-A Processless imaging to maximize blue light absorption of an image ISP INVESTMENTS INC. (US) 1992-10-27 US claimed
WO-1992007032-A1 PROCESSLESS IMAGING TO MAXIMIZE BLUE LIGHT ABSORPTION OF AN IMAGE ISP INVESTMENTS INC. (US) 1992-04-30 WO claimed
US-5158862-A Processless imaging to maximize blue light absorption of an image ISP INVESTMENTS INC. (US) 1992-10-27 US disclosed
US-5149616-A Processless imaging to maximize blue light absorption of an image ISP INVESTMENTS INC. (US) 1992-09-22 US disclosed
WO-1992007032-A1 PROCESSLESS IMAGING TO MAXIMIZE BLUE LIGHT ABSORPTION OF AN IMAGE ISP INVESTMENTS INC. (US) 1992-04-30 WO disclosed