SCHEMBL9070189

SCHEMBL9070189

C=CCC[O-].C=CCC[O-].C=CCC[O-].CCCCC1=C([Ti+3])CC=C1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL8677243 0.85
SCHEMBL8678700 0.83 TSHR (0.32) TSHRALDH1A1
SCHEMBL8679812 0.83 TSHR (0.32) TSHRALDH1A1
Fluoride Ion SCHEMBL1539692 0.81
Hydrochloric Acid SCHEMBL1539742 0.81
Bromide SCHEMBL1539661 0.81
Iodide SCHEMBL1539657 0.81
SCHEMBL8676887 0.81
SCHEMBL8679299 0.81
2-Allylphenol SCHEMBL8676366 0.76

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494874-A TITANIUM COMPLEXES WITH A COCATALYST AS POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY (US) 1996-02-27 US disclosed
US-5374696-A Catalyzing the addition polymerization in presence of titanium metal complexes with cocatalysts THE DOW CHEMICAL COMPANY (US) 1994-12-20 US disclosed