4-Nonylphenol

4-Nonylphenol

SCHEMBL5675003

CCCCCCCCCc1ccc(O)cc1.Oc1ccccc1

nearest known ligand 0.85

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.85
ESR1 P03372 2/20 0.85
ADRA2A P08913 2/20 0.85
ADORA3 P0DMS8 2/20 0.85
TACR2 P21452 2/20 0.85
SLC6A2 P23975 2/20 0.85
SLC6A4 P31645 2/20 0.85
SLC6A3 Q01959 2/20 0.85
KDM4E B2RXH2 1/20 0.85
ALDH1A1 P00352 1/20 0.85
LMNA P02545 1/20 0.85
SHBG P04278 1/20 0.85
TP53 P04637 1/20 0.85
CYP3A4 P08684 1/20 0.85
HSPD1 P10809 1/20 0.85
ADRB3 P13945 1/20 0.85
HTR2C P28335 1/20 0.85
HSPE1 P61604 1/20 0.85
HIF1A Q16665 1/20 0.85
TST Q16762 1/20 0.85

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
Phenol SCHEMBL15717135 1.00 PTGS2 (0.85) PTGS2ESR1ADRA2AADORA3TACR2
4-Octylphenol SCHEMBL10430007 1.00 PTGS2 (0.85) PTGS2ESR1ADRA2AADORA3TACR2
Phenol SCHEMBL6906531 1.00 PTGS2 (0.85) PTGS2ESR1ADRA2AADORA3TACR2
Phenol SCHEMBL9117289 0.98 ESR1 (0.81) PTGS2ESR1ADRA2AADORA3TACR2
Phenol SCHEMBL28076686 0.94 PTGS2 (0.74) PTGS2ESR1ADRA2AADORA3TACR2
Phenol SCHEMBL28132388 0.94 PTGS2 (0.74) PTGS2ESR1ADRA2AADORA3TACR2
Phenol SCHEMBL15509320 0.94 PTGS2 (0.74) PTGS2ESR1ADRA2AADORA3TACR2
Phenol SCHEMBL28235056 0.94 PTGS2 (0.74) PTGS2ESR1ADRA2AADORA3TACR2
Phenol SCHEMBL30345275 0.94 PTGS2 (0.74) PTGS2ESR1ADRA2AADORA3TACR2
Hydroquinone SCHEMBL27639405 0.94 PTGS2 (0.81) PTGS2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536960-B1 Preparation of 2-hydroxymandelic acids and 2-hydroxybenzaldehydes ZENECA LTD (GB) 1996-09-11 EP claimed
EP-0409386-B1 ANTIFOULANT COMPOSITIONS AND METHODS PETROLITE CORPORATION (US) 1993-08-04 EP claimed
EP-0194601-B1 METAL-MODIFIED PHENOLIC RESINS AND METHODS OF PREPARATION OCCIDENTAL CHEMICAL CORPORATION (US) 1989-09-06 EP claimed
EP-0038689-B1 FRICTION ELEMENT UNION CARBIDE CORPORATION (US) 1986-01-08 EP claimed
CN-116858979-B Method and system for monitoring nonylphenol pollutants 广东工业大学 2024-06-07 CN disclosed
CN-116858979-A Method and system for monitoring nonylphenol pollutants 广东工业大学 2023-10-10 CN disclosed
US-20060135710-A1 Epoxy resin compositions, methods of preparing and articles made therefrom RESOLUTION PERFORMANCE PRODUCTS LLC 2006-06-22 US disclosed
WO-2006066021-A2 EPOXY RESIN COMPOSITIONS, METHODS OF PREPARING, AND ARTICLES MADE THEREFROM HEXION SPECIALTY CHEMICALS INC. (US) 2006-06-22 WO disclosed
WO-1998002473-A1 BENZYLIC ETHER PHENOLIC RESOLE RESINS, THEIR PREPARATION, AND USES ASHLAND INC. (US) 1998-01-22 WO disclosed
US-4148655-A PHENOLIC COPOLYMER, STORAGE STABILITY, PRINTING PLATES OJI PAPER CO., LTD. (JP) 1979-04-10 US disclosed