SCHEMBL4661237

SCHEMBL4661237

CCOCCO[Al](CC)CC

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.37
THRB P10828 1/20 0.32

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
SCHEMBL1047303 0.77 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL19970453 0.74 ALDH1A1 (0.60) ALDH1A1TSHRTHRB
SCHEMBL22247 0.74
SCHEMBL8763985 0.73
SCHEMBL27460206 0.73
SCHEMBL1537622 0.72
SCHEMBL989839 0.71 ALDH1A1 (0.56) ALDH1A1TSHRTHRB
SCHEMBL987828 0.71 ALDH1A1 (0.56) ALDH1A1TSHRTHRB
SCHEMBL5839297 0.71 ALDH1A1 (0.56) ALDH1A1TSHRTHRB
SCHEMBL1204192 0.71 ALDH1A1 (0.56) ALDH1A1TSHRTHRB

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-1922341-B1 OLEFIN POLYMERIZATION CATALYST SYSTEM EQUISTAR CHEM LP (US) 2008-12-31 EP disclosed
EP-1922341-A1 OLEFIN POLYMERIZATION CATALYST SYSTEM Equistar Chemicals, LP (US) 2008-05-21 EP disclosed
WO-2007030273-A1 OLEFIN POLYMERIZATION CATALYST SYSTEM EQUISTAR CHEMICALS, LP (US) 2007-03-15 WO disclosed
US-7122497-B1 Olefin polymerization catalyst system EQUISTAR CHEMICALS, LP (US) 2006-10-17 US disclosed