2-Allylphenol

2-Allylphenol

SCHEMBL6843618

C=CCc1ccccc1O.O=CC=O

nearest known ligand 0.84

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.50
GABRB2 P47870 3/20 0.50
POLB P06746 2/20 0.47
TSHR P16473 2/20 0.47
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47
HSPA5 P11021 1/20 0.46
AKR1B1 P15121 2/20 0.46
CA12 O43570 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.40
ALOX5 P09917 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GABRB1 P18505 1/20 0.40
RXRA P19793 1/20 0.40

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 SCHEMBL2537086 0.94 GABRA1 (0.48) GABRA1GABRB2POLBTSHRCYP2D6
2-Allylphenol SCHEMBL11801040 0.92 GABRA1 (0.50) GABRA1GABRB2POLBTSHRCYP2D6
2-Allylphenol SCHEMBL88373 0.92 GABRA1 (0.53) GABRA1GABRB2POLBTSHRCYP2D6
2-Allylphenol SCHEMBL160157 0.92 GABRA1 (0.57) GABRA1GABRB2POLBTSHRCYP2D6
2-Allylphenol SCHEMBL29381085 0.92 GABRA1 (0.57) GABRA1GABRB2POLBTSHRCYP2D6
2-Allylphenol SCHEMBL31591833 0.92 GABRA1 (0.57) GABRA1GABRB2POLBTSHRCYP2D6
2-Allylphenol SCHEMBL5489147 0.92 GABRA1 (0.57) GABRA1GABRB2POLBTSHRCYP2D6
2-Allylphenol SCHEMBL8663892 0.90 GABRA1 (0.48) GABRA1GABRB2POLBTSHRCYP2D6
2-Allylphenol SCHEMBL1414065 0.90 GABRA1 (0.48) GABRA1GABRB2POLBTSHRCYP2D6
2-Allylphenol SCHEMBL1414063 0.90 GABRA1 (0.52) GABRA1GABRB2POLBTSHRCYP2D6

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
WO-2023128758-A1 Formaldehyde-free aromatic syntan and method for producing EXPLOITATIEMAATSCHAPPIJ SMIT-VECHT B.V. (NL) 2023-07-06 WO disclosed
US-20040102586-A1 Resins comprised of alkyl phenols and of glyoxylic acid derivatives, and their use as demulsifiers CLARIANT GMBH (DE) 2004-05-27 US disclosed
US-20040014824-A1 Alkyl phenolglyoxal resins and their use as demistifiers CLARIANT GMBH (DE) 2004-01-22 US disclosed