SCHEMBL3900993

SCHEMBL3900993

N#CCC=O.[NaH]

nearest known ligand 0.00

⚠ 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
Water SCHEMBL9216449 0.96
SCHEMBL43598 0.96
Hydrochloric Acid SCHEMBL30319590 0.93
SCHEMBL30117302 0.93
Benzene SCHEMBL28069769 0.87 TSHR (0.35)
Butane SCHEMBL19459012 0.84
Dimethylamine SCHEMBL22436377 0.84
Carbamic Acid SCHEMBL28310188 0.80
SCHEMBL10955194 0.76 TSHR (0.33)
Thiophene SCHEMBL28124241 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611815-A Synthesis method of cytosine 新乡瑞诺药业有限公司 2023-01-17 CN claimed
CN-115611815-A Synthesis method of cytosine 新乡瑞诺药业有限公司 2023-01-17 CN disclosed
CN-212882340-U Novel cytosine high-pressure reaction reactor 新乡瑞诺药业有限公司 2021-04-06 CN disclosed
CN-108033927-A A kind of compound and its preparation method and application 北京宜生堂医药科技研究有限公司 2018-05-15 CN disclosed
US-7601708-B2 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. (US) 2009-10-13 US disclosed
US-7094906-B2 Processes for preparing pesticidal intermediates Basf Agro B.V. Arnthem (NL) Wädenswil-Branch (CH) 2006-08-22 US disclosed
US-6992076-B2 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. (US) 2006-01-31 US disclosed
US-20050272710-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. (US) 2005-12-08 US disclosed
EP-1343805-A4 BILE-ACID DERIVED COMPOUNDS FOR PROVIDING SUSTAINED SYSTEMIC CONCENTRATIONS OF DRUGS AFTER ORAL ADMINISTRATION XENOPORT INC (US) 2005-07-20 EP disclosed
EP-1073627-B1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES BAYER AGRICULTURE LTD (GB) 2004-12-01 EP disclosed
EP-0952144-B1 Processes for preparing pesticidal intermediates BAYER AGRICULTURE LTD (GB) 2003-06-18 EP disclosed
US-20020151529-A1 Bile-acid derived compounds for providing sustained systemic concentrations of drugs after oral administration XENOPORT, INC. 2002-10-17 US disclosed
US-20020128485-A1 Processes for preparing pesticidal intermediates MERIAL LIMITED 2002-09-12 US disclosed
US-6392081-B1 REACTING A NITRILE COMPOUND CONTAINING ACTAL GROUPS WITH ARYLHYDRAZINE; OXIDATION AVENTIS AGRICULTURE LTD. (GB) 2002-05-21 US disclosed
WO-2002028881-A1 BILE-ACID DERIVED COMPOUNDS FOR PROVIDING SUSTAINED SYSTEMIC CONCENTRATIONS OF DRUGS AFTER ORAL ADMINISTRATION XENOPORT, INC. (US) 2002-04-11 WO disclosed
EP-1073627-A1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES AVENTIS AGRICULTURE LTD. (GB) 2001-02-07 EP disclosed
WO-1999054288-A1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES AVENTIS AGRICULTURE LTD. (GB) 1999-10-28 WO disclosed
EP-0952144-A1 Processes for preparing pesticidal intermediates RHONE-POULENC AGRICULTURE LTD. (GB) 1999-10-27 EP disclosed
EP-0242687-A2 Process for the preparation of 1-aryl-5-amino-pyrazoles BAYER AG (DE) 1987-10-28 EP disclosed
EP-0242687-A2 Process for the preparation of 1-aryl-5-amino-pyrazoles BAYER AG (DE) 1987-10-28 EP disclosed