2-Allylphenol

2-Allylphenol

SCHEMBL8676113

C=CCc1ccccc1[O-].C=CCc1ccccc1[O-].CC(C)(C)[Zr+2]C1=CC=CC1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
2-Allylphenol SCHEMBL8675445 0.86 GABRA1 (0.32) ADRA2AADRA2BADRA2CGABRA1GABRB2
2-Allylphenol SCHEMBL8678606 0.84 ADRA2A (0.30) ADRA2AADRA2BADRA2CGABRA1GABRB2
2-Allylphenol SCHEMBL8675422 0.80
2-Allylphenol SCHEMBL8677481 0.77 ADRA2A (0.30) ADRA2AADRA2BADRA2C
2-Allylphenol SCHEMBL8678615 0.77 ADRA2A (0.30) ADRA2AADRA2BADRA2C
2-Allylphenol SCHEMBL8676413 0.77 GABRA1 (0.33) ADRA2AADRA2BADRA2CGABRA1GABRB2
2-Allylphenol SCHEMBL8675785 0.77 GABRA1 (0.33) ADRA2AADRA2BADRA2CGABRA1GABRB2
2-Allylphenol SCHEMBL8679239 0.77 ALDH1A1 (0.33) ADRA2AADRA2BADRA2CGABRA1GABRB2
2-Allylphenol SCHEMBL8675849 0.76 GABRA1 (0.33) ADRA2AADRA2BADRA2CGABRA1GABRB2
SCHEMBL8676014 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 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