SCHEMBL4609900

SCHEMBL4609900

CC(C)CC(C)C[Al](CC(C)CC(C)C)CC(C)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL599901 0.73 TSHR (0.47) ALDH1A1TSHRMAPK1
SCHEMBL8405576 0.73 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1
SCHEMBL4377765 0.71 TSHR (0.42) TSHR
SCHEMBL6935045 0.71 LMNA (0.36)
SCHEMBL23846021 0.70 TSHR (0.44) ALDH1A1TSHRMAPK1
SCHEMBL19819960 0.70 TSHR (0.44) ALDH1A1TSHRMAPK1
SCHEMBL15141 0.70 TSHR (0.33) TSHR
SCHEMBL3819026 0.70 TSHR (0.33) TSHR
SCHEMBL31380967 0.70 TSHR (0.44) ALDH1A1TSHRMAPK1
SCHEMBL17274592 0.70 TSHR (0.44) ALDH1A1TSHRMAPK1

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
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP disclosed
US-20070213204-A1 Ziegler-Natta catalyst with in situ-generated donor NOVOLEN TECHNOLOGY HOLDINGS C.V. 2007-09-13 US disclosed
EP-1419182-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-05-19 EP disclosed
WO-2003018644-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-03-06 WO disclosed