Isothiocyanate

Isothiocyanate

SCHEMBL301411

Clc1cnnnc1Cl.N=C=S

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL27812950 0.87
Ammonia Solution, Strong SCHEMBL27781960 0.84
Hydrochloric Acid SCHEMBL8726033 0.84
SCHEMBL8743122 0.84
Fluoride SCHEMBL28215587 0.84
SCHEMBL27568570 0.77
SCHEMBL27868842 0.75
Catechol SCHEMBL27519251 0.71 ALDH1A1 (0.43)
Toluene SCHEMBL20644134 0.69 TSHR (0.42)
SCHEMBL524863 0.66

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 195 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12582710-B2 Single-chain coronavirus viral membrane protein complexes UNIVERSITY OF HOUSTON SYSTEM (US) 2026-03-24 US disclosed
US-20250099570-A1 ANTIBODIES TARGETING MARBURGVIRUS GLYCOPROTEINS AND USES THEREOF UNIVERSITY OF MARYLAND, COLLEGE PARK 2025-03-27 US disclosed
CN-110382519-B Novel recombinant protein antigen of Orientia tsutsugamushi and vaccine composition using the same 首尔大学校产业协力团 2024-03-12 CN disclosed
US-20230338511-A1 SINGLE-CHAIN CORONAVIRUS VIRAL MEMBRANE PROTEIN COMPLEXES UNIVERSITY OF HOUSTON SYSTEM 2023-10-26 US disclosed
EP-4119947-A1 GPC3-TARGETING DRUG WHICH IS ADMINISTERED TO PATIENT RESPONSIVE TO GPC3-TARGETING DRUG THERAPY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-01-18 EP disclosed
US-20220389511-A1 SYSTEMS AND METHODS FOR ARTIFICAL INTELLIGENCE BASED CELL ANALYSIS AIKILI BIOSYSTEMS INC (US) 2022-12-08 US disclosed
WO-2022169267-A1 METHOD AND KIT FOR DETECTING LUNG CANCER BLOOD BIOMARKER 제노마인(주) 2022-08-11 WO disclosed
EP-4028942-A1 SYSTEMS AND METHODS FOR ARTIFICIAL INTELLIGENCE BASED CELL ANALYSIS Aikili Biosystems, Inc. (US) 2022-07-20 EP disclosed
EP-3557260-B1 GPC3-TARGETING DRUG WHICH IS ADMINISTERED TO PATIENT RESPONSIVE TO GPC3-TARGETING DRUG THERAPY CHUGAI PHARMACEUTICAL CO LTD (JP) 2022-05-18 EP disclosed
WO-2022047176-A2 SINGLE-CHAIN CORONAVIRUS VIRAL MEMBRANE PROTEIN COMPLEXES UNIVERSITY OF HOUSTON SYSTEM (US) 2022-03-03 WO disclosed
US-20070059784-A1 Methods for measuring the insulin receptor alpha subunit MEDICAL AND BIOLOGICAL LABORATORIES CO., LTD. (JP) 2007-03-15 US disclosed
EP-1648506-A1 METHOD FOR TREATING SYNOVIAL SARCOMA Oncotherapy Science, Inc. (JP) 2006-04-26 EP disclosed
EP-1624305-A1 METHOD OF MEASURING INSULIN RECEPTOR alpha SUBUNIT Ebina, Yosuke (JP) 2006-02-08 EP disclosed
EP-1605266-A1 UROTHELIAL CANCER TUMOR MARKER TSS Biotech Inc. (JP) 2005-12-14 EP disclosed
US-20050272063-A1 Identifying an agent that inhibits the expression of frizzled 10 protein by contacting a test sample, such as a tumor cell, with a test agent and determining expression level with an antibody; screening for a compound that binds to FZD; diagnosis and treatment of synovial sarcoma ONCOTHERAPY SCIENCE, INC. 2005-12-08 US disclosed
WO-2005004912-A1 METHOD FOR TREATING SYNOVIAL SARCOMA ONCOTHERAPY SCIENCE, INC. (JP) 2005-01-20 WO disclosed
US-20040248217-A1 Tumor marker for urothelial carcinoma TSS BIOTECH INC. (JP) 2004-12-09 US disclosed
WO-2004020668-A2 METHOD FOR TREATING SYNOVIAL SARCOMA ONCOTHERAPY SCIENCE, INC. (JP) 2004-03-11 WO disclosed
US-5733549-A LOW HOMOLOGY WITH LOW DENSITY LIPOPROTEINS; ARTERIOSCLEROSIS TREATMENT SHINO-TEST CORPORATION (JP) 1998-03-31 US disclosed
EP-0621284-A1 PEPTIDES CONTAINING RESPECTIVE AMINO ACID SEQUENCES SELECTED FROM AMONG THOSE OF LIPOPROTEIN(a) AND APOLIPOPROTEIN(a), ANTIBODIES RESPECTIVELY RECOGNIZING THESE AMINO ACID SEQUENCES, AND METHOD OF ASSAYING WITH THESE ANTIBODIES SHINO-TEST CORPORATION (JP) 1994-10-26 EP disclosed