1-Isothiocyanatoheptane

1-Isothiocyanatoheptane

SCHEMBL330703

CCCCCCCN=C=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 1.00
MIF P14174 4/20 0.58
TRPA1 O75762 8/20 0.58
GSK3B P49841 1/20 0.54
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
BACH1 O14867 1/20 0.50
MAFK O60675 1/20 0.50
EGFR P00533 1/20 0.50
PTGS2 P35354 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL332310 1.00 NAAA (1.00) NAAAMIFTRPA1GSK3BALDH1A1
SCHEMBL3792821 1.00 NAAA (1.00) NAAAMIFTRPA1GSK3BALDH1A1
1-Isothiocyanatohexane SCHEMBL331230 1.00
1-Isothiocyanatooctane SCHEMBL331051 1.00 NAAA (1.00) NAAAMIFTRPA1GSK3BALDH1A1
SCHEMBL10822521 1.00 NAAA (1.00) NAAAMIFTRPA1GSK3BALDH1A1
SCHEMBL9831163 1.00 NAAA (1.00) NAAAMIFTRPA1GSK3BALDH1A1
SCHEMBL1457042 1.00 NAAA (1.00) NAAAMIFTRPA1GSK3BALDH1A1
SCHEMBL330890 1.00 NAAA (1.00) NAAAMIFTRPA1GSK3BALDH1A1
SCHEMBL331790 1.00 NAAA (1.00) NAAAMIFTRPA1GSK3BALDH1A1
SCHEMBL30102636 1.00 NAAA (1.00) NAAAMIFTRPA1GSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010065329-A2 NANOPARTICLES FOR CANCER TREATMENT THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 WO claimed
US-20060241178-A1 Compositions and methods for treating lung cancer IMMUNEGUARD LLC (US) 2006-10-26 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-20250295713-A1 COMPOSITIONS AND METHODS FOR IMPROVING SKIN HEALTH AND FOR THE TREATMENT AND PREVENTION OF DISEASES, DISORDERS AND CONDITIONS ASSOCIATED WITH PATHOGENIC MICROBES DERMBIONT, INC. 2025-09-25 US disclosed
EP-4342957-B1 OIL-RESISTANT AGENT DAIKIN IND LTD (JP) 2025-09-03 EP disclosed
CN-116096824-B Modified natural product and use thereof 大金工业株式会社 2025-04-29 CN disclosed
US-20250066293-A1 OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS BRASSICA PROTECTION PRODUCTS LLC (US) 2025-02-27 US disclosed
US-20240409753-A1 WATER-/OIL-REPELLENT AGENT DAIKIN INDUSTRIES, LTD. (JP) 2024-12-12 US disclosed
EP-4471208-A1 WATER-/OIL-REPELLENT AGENT DAIKIN INDUSTRIES, LTD. (JP) 2024-12-04 EP disclosed
CN-118679228-A Water-and oil-repellent agent 大金工业株式会社 2024-09-20 CN disclosed
US-12064459-B2 Compositions and methods for improving skin health and for the treatment and prevention of diseases, disorders and conditions associated with pathogenic microbes DERMBIONT, INC. (US) 2024-08-20 US disclosed
CN-1171901-A Horseradish-taste preparation and food having horseradish taste HOUSE FOODS CORP (JP) 1998-02-04 CN disclosed
US-4488993-A Amidinoureas WILLIAM H. RORER, INC. 1984-12-18 US disclosed
US-4310539-A BACTERICIDES, FUNGICIDES STAUFFER CHEMICAL COMPANY (US) 1982-01-12 US disclosed
US-4233318-A BACTERICIDAL AND FUNGICIDAL S-AMINOALKYL ISOTHIOUREA STAUFFER CHEMICAL COMPANY (US) 1980-11-11 US disclosed
US-4220658-A Treatment of hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-02 US disclosed
US-4097605-A Alkyl thiourea miticides STAUFFER CHEMICAL COMPANY (US) 1978-06-27 US disclosed
US-4030925-A Photographic compositions and elements including internal latent image silver halide grains and acylhydrazinophenylthiourea nucleating agents therefor EASTMAN KODAK COMPANY (US) 1977-06-21 US disclosed
US-4031127-A Acyl hydrazino thiourea derivatives as photographic nucleating agents EASTMAN KODAK COMPANY (US) 1977-06-21 US disclosed