1-Isothiocyanatopentane

1-Isothiocyanatopentane

SCHEMBL175645

CCCCCN=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
SCHEMBL3792821 0.97 NAAA (1.00)
SCHEMBL1457042 0.97 NAAA (1.00)
1-Isothiocyanatooctane SCHEMBL331051 0.97 NAAA (1.00)
1-Isothiocyanatopentane SCHEMBL8007293 0.97
SCHEMBL331790 0.97 NAAA (1.00)
SCHEMBL9831163 0.97 NAAA (1.00)
SCHEMBL330890 0.97 NAAA (1.00)
SCHEMBL10822521 0.97 NAAA (1.00)
1-Isothiocyanatoheptane SCHEMBL330703 0.97 NAAA (1.00)
1-Isothiocyanatopentane SCHEMBL8007299 0.97

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 1890 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4588372-A1 AN AEROSOL GENERATION CONSUMABLE JT International SA (CH) 2025-07-23 EP claimed
CN-119039552-A Hexacyclosulfur compound and blue light protection material with ultrahigh refractive index 江苏视科新材料股份有限公司 2024-11-29 CN claimed
CN-114634505-B Substituted indolone-chain-substituted-1, 3-thiazolidineone derivative and preparation method and application thereof 复旦大学 2024-05-24 CN claimed
CN-114634501-B 3, 5-Diaryl-thiazolidinone-azo chain-indolone derivative and preparation method and application thereof 复旦大学 2024-05-24 CN claimed
CN-114634504-B Substituted indolone-azo chain-3-substituted-thiazolidinone compound and preparation method and application thereof 复旦大学 2024-05-24 CN claimed
CN-114634503-B Indole alkaloid heterocycle substituted-1, 3-thiazolidineone derivative and preparation method and application thereof 复旦大学 2024-05-24 CN claimed
CN-114634496-B Indolone substituted-1, 3-thiazolidinedione derivative and preparation method and application thereof 复旦大学 2024-04-19 CN claimed
CN-114634506-B Substituted 1H-indol-2-one-yl-3, 5-substituted aryl-1, 3-thiazolidinedione derivatives 复旦大学 2024-04-19 CN claimed
CN-114751868-B Diaryl substituted triazole acetic acid compound, and preparation method and application thereof 山东理工大学 2024-04-12 CN claimed
CN-114634500-B PTP1B inhibitor and synthesis method and application thereof 复旦大学 2024-03-29 CN claimed
EP-0506846-A4 AMINO ACID THIOHYDANTOIN METHOD AND REAGENT 1993-01-07 EP claimed
EP-0506846-A1 AMINO ACID THIOHYDANTOIN METHOD AND REAGENT. APPLIED BIOSYSTEMS (US) 1992-10-07 EP claimed
WO-1991009868-A1 AMINO ACID THIOHYDANTOIN METHOD AND REAGENT APPLIED BIOSYSTEMS, INC. (US) 1991-07-11 WO claimed
EP-0153127-B1 N-ARYL-3-ARYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDES, PROCESSES FOR THEIR PRODUCTION, INSECTICIDAL COMPOSITIONS CONTAINING THEM AND METHODS FOR COMBATTING INSECTS ROHM AND HAAS COMPANY (US) 1991-04-03 EP claimed
EP-0186297-B1 PESTICIDAL BIPHENYLYLOXY AND BIPHENYLYLALKOXY ARYL ACYL UREA COMPOUNDS, A PROCESS FOR THEIR PREPARATION, PESTICIDAL COMPOSITIONS AND A METHOD OF CONTROLLING PESTS RHONE-POULENC NEDERLAND B.V. (NL) 1989-03-08 EP claimed
WO-1988008875-A1 CYCLING BIOCHIP SENSOR THE WASHINGTON TECHNOLOGY CENTER (US) 1988-11-17 WO claimed
EP-0179707-B1 COMPOSITIONS, ESPECIALLY FOR IMPROVING THE PROPERTIES OF VULCANISATES AND THE REINFORCEMENT OF NATURAL AND SYNTHETIC RUBBERS RHONE-POULENC CHIMIE (FR) 1988-01-13 EP claimed
EP-0186297-A1 Pesticidal biphenylyloxy and biphenylylalkoxy aryl acyl urea compounds, a process for their preparation, pesticidal compositions and a method of controlling pests RHONE-POULENC NEDERLAND B.V. (NL) 1986-07-02 EP claimed
EP-0153127-A2 N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides, processes for their production, insecticidal compositions containing them and methods for combatting insects ROHM AND HAAS COMPANY (US) 1985-08-28 EP claimed
US-3931219-A Process for preparing hexahydrothieno[3,4-d]imidazole-2,4-diones SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-01-06 US claimed