SCHEMBL8513735

SCHEMBL8513735

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.30

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
SCHEMBL1425143 0.86 HIF1A (0.39) ALDH1A1ADH1BADH1CADH1ATSHR
SCHEMBL17866187 0.75 TSHR (0.33) ALDH1A1TSHR
SCHEMBL8767099 0.75 TSHR (0.32) ADH1BADH1CADH1ATSHRHIF1A
SCHEMBL144355 0.74 ADH1B (0.31) ADH1BADH1CADH1A
SCHEMBL6338673 0.70
SCHEMBL7595755 0.69 ALDH1A1 (0.50) ALDH1A1ADH1BADH1ATSHRHIF1A
SCHEMBL6454396 0.69 ALDH1A1 (0.36) ALDH1A1ADH1BADH1CADH1ATSHR
SCHEMBL3819026 0.67 TSHR (0.33) TSHR
SCHEMBL15141 0.67 TSHR (0.33) TSHR
SCHEMBL30272418 0.67

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-2643366-B1 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS ALBEMARLE CORP (US) 2015-03-25 EP disclosed
US-8895465-B2 Activator compositions, their preparation, and their use in catalysis ALBEMARLE CORPORATION (US) 2014-11-25 US disclosed
EP-2643366-A2 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS Albemarle Corporation (US) 2013-10-02 EP disclosed
US-20130253155-A1 Activator Compositions, Their Preparation, and Their Use In Catalysis ALBEMARIE CORPORATION (US) 2013-09-26 US disclosed
WO-2012071205-A2 ACTIVATOR COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS ALBEMARLE CORPORATION (US) 2012-05-31 WO disclosed