Phenethyl Isocyanate

Phenethyl Isocyanate

SCHEMBL5918

O=C=NCCc1ccccc1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.63
HIF1A Q16665 3/20 0.63
CYP2A6 P11509 2/20 0.63
TRPA1 O75762 2/20 0.63
CYP2E1 P05181 1/20 0.63
CYP2A13 Q16696 1/20 0.63
EPAS1 Q99814 1/20 0.63
NAAA Q02083 3/20 0.46
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KEAP1 Q14145 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
SLC22A2 O15244 1/20 0.41

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
Phenethyl Isocyanate SCHEMBL5082513 0.90 MIF (0.53) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL331135 0.88 MIF (0.48) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL4598946 0.88 TRPA1 (0.50) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL1149239 0.87 MIF (0.66) MIFHIF1ACYP2A6TRPA1CYP2E1
Phenethyl Isocyanate SCHEMBL23070415 0.86 MIF (0.49) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL425325 0.85 MIF (0.67) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL6804290 0.84 MIF (0.50) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL11240241 0.84 NAAA (0.68) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL4332687 0.84 NAAA (0.68) MIFHIF1ACYP2A6TRPA1CYP2E1
SCHEMBL1006435 0.84 NAAA (0.68) MIFHIF1ACYP2A6TRPA1CYP2E1

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

Appears in 2065 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3529319-B1 RHEOLOGY-MODIFYING URETHANE COMPOUND COATEX SAS (FR) 2025-07-30 EP claimed
WO-2025131930-A1 NON-AQUEOUS COATING COMPOSITION ALLNEX NETHERLANDS B.V. (NL) 2025-06-26 WO claimed
WO-2025132825-A1 1H-IMIDAZO[4,5-C]QUINOLINE METAL-BASED COMPLEXES USEFUL AS MEDICAMENTS FUNDACIÓN DONOSTIA INTERNATIONAL PHYSICS CENTER - DIPC (ES) 2025-06-26 WO claimed
CN-116396303-B Gimalane-guaiane sesquiterpene dimer and preparation method and application thereof 中国科学院昆明植物研究所 2025-02-18 CN claimed
CN-119285502-A Free radical self-release antifouling agent containing oxime urethane group and preparation method and application thereof 哈尔滨工程大学 2025-01-10 CN claimed
CN-119161580-A Amide group-containing polydisulfide degradable high polymer material and preparation method thereof 衢州化工新材料创新研究院 2024-12-20 CN claimed
CN-114790163-B Glimepiride Process for the preparation of intermediates 江苏星诺医药科技有限公司 2024-08-27 CN claimed
CN-118184675-A Mugwort lactone I derivative and pharmaceutical composition thereof, and preparation method and application thereof 中国科学院昆明植物研究所 2024-06-14 CN claimed
CN-117621582-B Layered composite material and preparation method and application thereof 河北英利奥体育用品有限公司 2024-06-11 CN claimed
CN-118063707-A Low-viscosity, high-tensile-strength and high-resilience 3D printing adhesive and preparation method thereof 河源然生新材料有限公司 2024-05-24 CN claimed
CN-1982292-B Method for the purification of isocyanates BASF AG 2011-09-07 CN claimed
WO-2010141426-A1 HYBRID MATERIAL FOR CHROMATOGRAPHIC SEPARATIONS WATERS TECHNOLOGIES CORPORATION (US) 2010-12-09 WO claimed
WO-2010112946-A1 ADAMANTANE BISUREA DERIVATIVES, METHOD OF PREPARATION AND APPLICATION IN ANION SENSING RUDJER BOSKOVIC INSTITUTE (HR) 2010-10-07 WO claimed
US-20090191399-A1 PERMANENT HYDROPHILIC POROUS COATINGS ONTO A SUBSTRATE AND POROUS MEMBRANES THEREOF GENERAL ELECTRIC COMPANY (US) 2009-07-30 US claimed
US-20090191398-A1 MEMBRANES COMPRISING HYDROPHILIC COATINGS GENERAL ELECTRIC COMPANY (US) 2009-07-30 US claimed
WO-2009056993-A2 A PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-07 WO claimed
CN-1982292-A Method for the purification of isocyanates BASF AG (DE) 2007-06-20 CN claimed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP claimed
EP-0317085-A2 Processed red blood cells and process for producing the same SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1989-05-24 EP claimed
US-4108870-A Stereocontrolled synthesis of α-multistriatin UNIVERSITY OF CHICAGO (US) 1978-08-22 US claimed