1-Isothiocyanatohexane

1-Isothiocyanatohexane

SCHEMBL331230

CCCCCCN=C=S

nearest known ligand 0.00

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⚠ 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
SCHEMBL332310 1.00 NAAA (1.00)
SCHEMBL3792821 1.00 NAAA (1.00)
1-Isothiocyanatooctane SCHEMBL331051 1.00 NAAA (1.00)
SCHEMBL10822521 1.00 NAAA (1.00)
SCHEMBL9831163 1.00 NAAA (1.00)
SCHEMBL1457042 1.00 NAAA (1.00)
1-Isothiocyanatoheptane SCHEMBL330703 1.00 NAAA (1.00)
SCHEMBL330890 1.00 NAAA (1.00)
SCHEMBL331790 1.00 NAAA (1.00)
SCHEMBL30102636 1.00 NAAA (1.00)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479004-B2 Selective attachment to enhance SiO2:SiNx etch selectivity LAM RESEARCH CORPORATION (US) 2025-11-25 US claimed
EP-4588372-A1 AN AEROSOL GENERATION CONSUMABLE JT International SA (CH) 2025-07-23 EP claimed
US-20250160275-A1 COMPOUNDS FOR MODIFYING MEIOTIC RECOMBINATION AND METHODS RELATING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-05-22 US claimed
US-20250084759-A1 FLUORESCENT DYE OIL TRACER COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2025-03-13 US claimed
WO-2024211130-A1 METHODS FOR MODIFYING MEIOTIC RECOMBINATION IN PLANTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2024-10-10 WO claimed
US-20230399942-A1 FLUORESCENT DYE OIL TRACER COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-12-14 US claimed
WO-2023164606-A1 COMPOUNDS FOR MODIFYING MEIOTIC RECOMBINATION AND METHODS RELATING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-08-31 WO claimed
US-20220362803-A1 SELECTIVE ATTACHMENT TO ENHANCE SiO2:SiNx ETCH SELECTIVITY LAM RESEARCH CORPORATION (US) 2022-11-17 US claimed
EP-3681476-B1 TRANSDERMAL FORMULATIONS TYME INC (US) 2022-09-14 EP claimed
CN-109180054-B Method for preparing gel reducing agent by sulfonated saccharide compounds 湖北工业大学 2021-06-18 CN claimed
WO-2010065329-A2 NANOPARTICLES FOR CANCER TREATMENT THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 WO claimed
US-7402689-B2 Vinylchloroformate-free synthesis of vinyl and allyl(thio) carbamates BAUSCH & LOMB INCORPORATED (US) 2008-07-22 US claimed
EP-1892237-A1 Vinylchloroformate-free synthesis of vinyl and allyl(thio)carbamates Bausch & Lomb Incorporated (US) 2008-02-27 EP claimed
US-20060241178-A1 Compositions and methods for treating lung cancer IMMUNEGUARD LLC (US) 2006-10-26 US claimed
EP-1708989-A1 VINYLCHLOROFORMATE-FREE SYNTHESIS OF VINYL AND ALLYL(THIO)CARBAMATES BAUSCH & LOMB INCORPORATED (US) 2006-10-11 EP claimed
WO-2005073181-A1 VINYLCHLOROFORMATE-FREE SYNTHESIS OF VINYL AND ALLYL(THIO)CARBAMATES BAUSCH & LOMB INCORPORATED (US) 2005-08-11 WO claimed
US-20050176980-A1 Vinylchloroformate-free synthesis of vinyl and allyl(thio) carbamates BAUSCH & LOMB INCORPORATED 2005-08-11 US claimed
WO-2004060365-A1 COMPOSITIONS AND METHODS FOR TREATING LUNG CANCER AMERICAN HEALTH FOUNDATION (US) 2004-07-22 WO claimed
CN-1405316-A Method for preparing isothiocyanic ester from cruciferae plants NEW FUNCTIONAL FOOD DEV TECHNO (JP) 2003-03-26 CN claimed
US-4371612-A Immobilization of biological material with an acrylonitrile polymer TOYO JOZO COMPANY, LTD. (JP) 1983-02-01 US claimed