SCHEMBL580504

SCHEMBL580504

Cc1ccnc(C)c1N

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
SCHEMBL30374657 1.00
Ammonia Solution, Strong SCHEMBL28486618 0.97 NOS2 (0.62)
Hydrochloric Acid SCHEMBL28660209 0.97 NOS2 (0.62)
Cyanide SCHEMBL28812484 0.93 NOS2 (0.58)
Hexane SCHEMBL28173825 0.87 NOS2 (0.52)
SCHEMBL29507149 0.79
SCHEMBL29593111 0.79
SCHEMBL373587 0.79
SCHEMBL1502884 0.79
SCHEMBL6683391 0.78 NOS2 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101015-A1 HETEROCYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2025-03-27 US claimed
CN-117683073-A Synthesis method of abiraterone acetate 江苏希迪制药有限公司 2024-03-12 CN claimed
CN-113816867-B Method for preparing atorvastatin calcium intermediate by continuous flow tubular reactor 江苏阿尔法集团盛基药业(宿迁)有限公司 2024-01-12 CN claimed
CN-117069782-A Preparation method of general key intermediate of glycoside compound with alpha-stereoselectivity 上海医药工业研究院有限公司 2023-11-17 CN claimed
CN-115536705-A Targeting II-type vesicle monoamine transporter molecular probe and preparation method and application thereof 江苏省原子医学研究所 2022-12-30 CN claimed
CN-113582776-B Garlic sulfur coating compound fertilizer and preparation method thereof 安徽省司尔特肥业股份有限公司 2022-05-31 CN claimed
CN-113831386-A Steroid piperidone derivative and synthesis method and application thereof 西北农林科技大学 2021-12-24 CN claimed
CN-113816867-A Method for preparing atorvastatin calcium intermediate by using continuous flow tubular reactor 宿迁盛基医药科技有限公司 2021-12-21 CN claimed
US-20210387982-A1 HETEROCYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-12-16 US claimed
CN-113582776-A Garlic sulfur coating compound fertilizer and preparation method thereof 安徽省司尔特肥业股份有限公司 2021-11-02 CN claimed
CN-101203524-A Preparation of beta-anomer enriched 21-deoxidation, 21,21Intermediates and processes for (difluoro) -D-ribofuranonucleosides DABUR PHARMA LTD (IN) 2008-06-18 CN claimed
EP-1853616-A1 INTERMEDIATE AND PROCESS FOR PREPARING OF BETA-ANOMER ENRICHED 21-DEOXY,21,21-DIFLUORO-D-RIBOFURANOSYL NUCLEOSIDES Dabur Pharma Limited (IN) 2007-11-14 EP claimed
US-20070208170-A1 INTERMEDIATE AND PROCESS FOR PREPARING OF BETA- ANOMER ENRICHED 21-DEOXY,21,21-DIFLUORO-D-RIBOFURANOSYL NUCLEOSIDES DABUR PHARMA LIMITED 2007-09-06 US claimed
US-7235647-B2 Intermediate and process for preparing of β- anomer enriched 21-deoxy,21,21-difluoro-D-ribofuranosyl nucleosides DABUR PHARMA LIMITED (IN) 2007-06-26 US claimed
US-20070049749-A1 Method for Manufacture of Ceftriaxone Sodium LUPIN LIMITED (RESEARCH PARK) (IN) 2007-03-01 US claimed
US-20060217547-A1 Intermediate and process for preparing of beta- anomer enriched 21-deoxy,21,21-difluoro-D-ribofuranosyl nucleosides FRESENIUS KABI ONCOLOGY LIMITED (IN) 2006-09-28 US claimed
WO-2006092808-A1 INTERMEDIATE AND PROCESS FOR PREPARING OF BETA- ANOMER ENRICHED 21DEOXY, 21 ,21-DIFLUORO-D-RIBOFURANOSYL NUCLEOSIDES DABUR PHARMA LIMITED (IN) 2006-09-08 WO claimed
US-20050059820-A1 Method for manufacture of ceftriaxone sodium LUPIN LIMITED (IN) 2005-03-17 US claimed
US-6780988-B2 PREPARED BY ADDING URIDINE MONOPHOSPHATE DIPHENYL PHOSPHATE IN DIVIDED PORTIONS DURING REACTION WITH A PYROPHOSPHATE ORGANIC ALKALISALT IN THE PRESENCE OF A BASE; EXPECTORANTS YAMASA CORPORATION (JP) 2004-08-24 US claimed
WO-2004037765-A1 A PROCESS FOR THE PREPARATION OF 3,4,5-TRIFLUORONITROBENZENE DR. REDDY'S LABORATORIES LTD. (IN) 2004-05-06 WO claimed