Cyanate

Cyanate

SCHEMBL9862094

N#C[O-].N#C[O-].[K+].[K+]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Cyanate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
Cyanate SCHEMBL30478120 1.00
Cyanate SCHEMBL1330868 1.00
Cyanate SCHEMBL8057914 0.94
Cyanate SCHEMBL8057918 0.94 CA1 (0.67)
Cyanate SCHEMBL8057911 0.94 CA1 (0.67)
Cyanate SCHEMBL20603892 0.94 CA1 (0.67)
Cyanate SCHEMBL18662720 0.94 CA1 (0.67)
Cyanate SCHEMBL18662721 0.94 CA1 (0.67)
Cyanate SCHEMBL10748686 0.94
Cyanate SCHEMBL9273646 0.94 CA1 (0.67)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118204074-A Cyclic ether MOF stabilized solitary atom catalyst and preparation and application thereof 中国科学院大连化学物理研究所 2024-06-18 CN claimed
CN-109719304-B Method for preparing noble metal lone atoms in solution and application 中国科学院大连化学物理研究所 2022-08-09 CN claimed
CN-115662676-B Conductive paste and preparation method and application thereof 广东江玻玻璃科技有限公司 2024-06-11 CN disclosed
CN-117083123-A Catalyst for producing carboxylic acid ester, method for producing carboxylic acid ester, and method for producing catalyst for producing carboxylic acid ester 旭化成株式会社 2023-11-17 CN disclosed
CN-116917549-A Method for electroplating electrodeposition and related electroplating cell 意大利菲美特有限公司 2023-10-20 CN disclosed
CN-116747906-A Gold-based catalyst for hydrochlorination of acetylene as well as preparation method and application thereof 贵州重力科技环保股份有限公司 2023-09-15 CN disclosed
CN-116157203-A Catalyst for producing carboxylic acid ester and process for producing carboxylic acid ester 旭化成株式会社 2023-05-23 CN disclosed
CN-109719304-B Method for preparing noble metal lone atoms in solution and application 中国科学院大连化学物理研究所 2022-08-09 CN disclosed
US-4997970-A Slurrying, isomerization with catalyst FMC CORPORATION (US) 1991-03-05 US disclosed