2-Allylphenol

2-Allylphenol

SCHEMBL8675847

C=CCc1ccccc1[O-].C=CCc1ccccc1[O-].C=CCc1ccccc1[O-].CC1=C([Ti+3])CC=C1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
ADRA2A P08913 1/20 0.31

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
2-Allylphenol SCHEMBL8677841 0.84 ADRA2A (0.30) ADRA2BADRA2CADRA2A
2-Allylphenol SCHEMBL8678613 0.84 ADRA2A (0.30) ADRA2BADRA2CADRA2A
2-Allylphenol SCHEMBL8675439 0.83 GABRA1 (0.31) GABRA1GABRB2ADRA2BADRA2CADRA2A
2-Allylphenol SCHEMBL8675441 0.83 GABRA1 (0.31) GABRA1GABRB2ADRA2BADRA2CADRA2A
2-Allylphenol SCHEMBL8675785 0.78 GABRA1 (0.33) GABRA1GABRB2ADRA2BADRA2CADRA2A
2-Allylphenol SCHEMBL8676413 0.75 GABRA1 (0.33) GABRA1GABRB2ADRA2BADRA2CADRA2A
2-Allylphenol SCHEMBL1011363 0.75 GABRA1 (0.45) GABRA1GABRB2ADRA2BADRA2CADRA2A
2-Allylphenol SCHEMBL4348728 0.75 GABRA1 (0.45) GABRA1GABRB2ADRA2BADRA2CADRA2A
2-Allylphenol SCHEMBL5488913 0.75 GABRA1 (0.45) GABRA1GABRB2ADRA2BADRA2CADRA2A
2-Allylphenol SCHEMBL9297407 0.75 GABRA1 (0.45) GABRA1GABRB2ADRA2BADRA2CADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723398-A CATALYST OF METAL CYCLOPENTADIENYL COMPLEX FOR POLYMERIZATION THE DOW CHEMICAL COMPANY (US) 1998-03-03 US disclosed
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