SCHEMBL10596381

SCHEMBL10596381

COc1c(C)c(C)c(OC)c(CCCCC#CCI)c1C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IMPDH1 P20839 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
SCHEMBL11097418 0.86 IMPDH1 (0.31) IMPDH1
SCHEMBL10891881 0.82 IMPDH1 (0.34) IMPDH1
SCHEMBL11359702 0.78 IMPDH1 (0.31) IMPDH1
SCHEMBL9578870 0.78 IMPDH1 (0.32) IMPDH1
SCHEMBL10896746 0.77 IMPDH1 (0.39) IMPDH1
SCHEMBL8565835 0.76 IMPDH1 (0.31) IMPDH1
SCHEMBL10894996 0.74 IMPDH1 (0.35) IMPDH1
SCHEMBL11173917 0.73 LMNA (0.34) IMPDH1
SCHEMBL11179581 0.73 IMPDH1 (0.30) IMPDH1
SCHEMBL11100859 0.72 IMPDH1 (0.30) IMPDH1

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-4871868-A FROM AN ORGANIC HALIDE OR AN ARYL SULFONATE AND AN ALKALI METAL ACETYLIDE, 1,3-DIALKYL-2-IMIDAZOLIDINONE PROMOTER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-03 US disclosed
EP-0284237-A1 Production of substituted acetylenic compounds Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed
EP-0038160-B1 QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-09-19 EP disclosed
US-4393075-A SLOW-REACTING-SUBSTANCE OF ANAPHYLAXIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-07-12 US disclosed
EP-0038160-A1 Quinone compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-10-21 EP disclosed