Benzyl Isothiocyanate

Benzyl Isothiocyanate

SCHEMBL44145

S=C=NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 13/20 1.00
TRPA1 O75762 3/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP3A4 P08684 1/20 1.00
HPGD P15428 1/20 1.00
CYP2E1 P05181 1/20 0.61
CYP2A6 P11509 1/20 0.61
HIF1A Q16665 1/20 0.61
CYP2A13 Q16696 1/20 0.61
EPAS1 Q99814 1/20 0.61
NAAA Q02083 4/20 0.53
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
Benzyl Isothiocyanate SCHEMBL27789925 1.00 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL28130423 0.98 MIF (0.95) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL2143472 0.98 MIF (0.95) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL28133299 0.93 MIF (0.87) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL11877620 0.89 MIF (0.80) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL28790178 0.89 MIF (0.80) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL8442568 0.89 MIF (0.80) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL27767110 0.88 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
Benzyl Isothiocyanate SCHEMBL28948292 0.88 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2141861 0.87 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD

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 4550 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260130395-A1 Water Dispersible Botanical Compositions AQUILA BLACK LTD (AU) 2026-05-14 US claimed
US-20260097140-A1 Radiolabelled Compounds UNIV MELBOURNE (AU) 2026-04-09 US claimed
EP-4702057-A1 IN VIVO IMAGING OF AN ALS BIOMARKER AND MEANS THEREFOR AL-S Pharma AG (CH) 2026-03-04 EP claimed
WO-2025244971-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROSTATE CANCER JANSSEN BIOTECH, INC. (US) 2025-11-27 WO claimed
US-12453713-B2 Liquid formulation to treat a corneal tissue VISION ENGINEERING ITALY SRL (IT) 2025-10-28 US claimed
EP-4628506-A1 PREPARATION METHOD FOR AND USE OF CD70-SPECIFIC INTEGRATED DIAGNOSIS AND TREATMENT MOLECULAR IMAGING PROBE Renji Hospital, Shanghai Jiao Tong University School of Medicine (CN) 2025-10-08 EP claimed
EP-4615506-A1 USE OF GSK-3 ACTIVATIOR TO MODULATE PROTEASOME ACTIVITY TO PREVENT AGEING ASSOCIATED CONDITIONS AND DISEASES Sahin, Fikret (TR) 2025-09-17 EP claimed
US-12402638-B2 Materials and methods for extending shelf-life of foods JP LABORATORIES, INC. (US) 2025-09-02 US claimed
EP-4590639-A1 RADIOLABELLED COMPOUNDS The University of Melbourne (AU) 2025-07-30 EP claimed
WO-2025151464-A1 ALPHA-PARTICLE RADIONUCLIDE-ANTIBODY CONJUGATES FOR TREATMENT OF SOLID TUMORS THE JOHNS HOPKINS UNIVERSITY (US) 2025-07-17 WO claimed
WO-1998022114-A1 A METHOD FOR PROMOTING TISSUE REPAIR DUMEX-ALPHARMA A/S (DK) 1998-05-28 WO claimed
EP-0757694-A4 THIOETHER COMPOUNDS FOR USE IN PREPARING BIFUNCTIONAL CHELATING AGENTS FOR THERAPEUTIC RADIOPHARMACEUTICALS UNIV MISSOURI (US) 1998-05-06 EP claimed
CN-1174672-A Condiment and foods HOUSE FOODS CORP (JP) 1998-03-04 CN claimed
CN-1171901-A Horseradish-taste preparation and food having horseradish taste HOUSE FOODS CORP (JP) 1998-02-04 CN claimed
EP-0757694-A1 THIOETHER COMPOUNDS FOR USE IN PREPARING BIFUNCTIONAL CHELATING AGENTS FOR THERAPEUTIC RADIOPHARMACEUTICALS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1997-02-12 EP claimed
WO-1996030056-A1 HYDROXYALKYL PHOSPHINE COMPOUNDS FOR USE AS DIAGNOSTIC AND THERAPEUTIC PHARMACEUTICALS AND METHOD OF MAKING SAME THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1996-10-03 WO claimed
WO-1995029925-A1 THIOETHER COMPOUNDS FOR USE IN PREPARING BIFUNCTIONAL CHELATING AGENTS FOR THERAPEUTIC RADIOPHARMACEUTICALS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1995-11-09 WO claimed
US-5016655-A Cigarette manufacturing process C.A. BLOCKERS, INC. (US) 1991-05-21 US claimed
WO-1989006912-A1 PROCESS FOR MANUFACTURING CIGARETTES EMPLOYING PRESELECTED ALCOHOLS BLOCKERS C A INC (US) 1989-08-10 WO claimed
US-3998964-A α-Amino-β-(N-benzylthiocarbamoylthio) propionic acid and therapeutic compositions DR. MADAUS & CO. (DT) 1976-12-21 US claimed