SCHEMBL6916204

SCHEMBL6916204

CC(C)(C)[Al](CCCC=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
TSHR P16473 2/20 0.42
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL2142520 0.70
SCHEMBL7514524 0.67 TSHR (0.32) TSHRALDH1A1
Glutaral SCHEMBL29229225 0.67 HIF1A (0.62) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL4882722 0.67 TSHR (0.50) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL1784079 0.65
SCHEMBL129074 0.65 TSHR (0.62) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL7590459 0.65 TSHR (0.55) HIF1ATSHRFAAHTRPV1ALDH1A1
Glutaral SCHEMBL836 0.64
Glutaral SCHEMBL1285455 0.64 HIF1A (1.00) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL16816939 0.64 HIF1A (0.82) HIF1ATSHRFAAHTRPV1ALDH1A1

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
US-9045569-B2 Process of making modified metallocene catalyst, catalyst produced and use thereof W. R. GRACE & CO.-CONN. (US) 2015-06-02 US disclosed
US-20130289227-A1 PROCESS OF MAKING MODIFIED METALLOCENE CATALYST, CATALYST PRODUCED AND USE THEREOF W.R. GRACE & CO.-CONN (US) 2013-10-31 US disclosed
US-6686306-B2 Supported dual transition metal catalyst systems W.R. GRACE & CO.- CONN. 2004-02-03 US disclosed
US-6559090-B1 Support-activator in agglomerate form and a metallocene and/or constrained geometry coordination catalyst component W. R. GRACE & CO.-CONN. 2003-05-06 US disclosed