SCHEMBL439275

SCHEMBL439275

CCCO[C](C)C

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
SCHEMBL440907 0.80
SCHEMBL6179801 0.79 ALDH1A1 (0.39)
SCHEMBL4071857 0.78
SCHEMBL27519089 0.76
SCHEMBL5226979 0.76 NAAA (0.56)
SCHEMBL5373233 0.74 HCAR2 (0.40)
Acetic Acid Propyl Ester SCHEMBL23495512 0.73 ALDH1A1 (0.70)
SCHEMBL9229396 0.73 ALDH1A1 (0.36)
SCHEMBL722005 0.73
SCHEMBL3280843 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024051696-A1 COMPOUND FOR RNA CAPPING AND USE THEREOF 广州市恒诺康医药科技有限公司 2024-03-14 WO claimed
CN-117645642-A Compounds for RNA capping and uses thereof 广州市恒诺康医药科技有限公司 2024-03-05 CN claimed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 US claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
EP-3558975-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
EP-3558986-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
US-6172104-B1 ADMINISTERING TO TREAT PNEUMOCYSTIS CARINII PNEUMONIA THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-01-09 US claimed
WO-2000010990-A2 DICATIONIC DIBENZOFURAN AND DIBENZOTHIOPHENE COMPOUNDS AND METHODS OF USE THEREOF UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-03-02 WO claimed
US-6008247-A TREATING PNEUMONIA THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-12-28 US claimed
EP-0941991-A1 2,4-Bis (4-amidino)phenyl furans as anti-pneumocystis carinii agents UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-09-15 EP claimed
CN-1040753-C Pyridine derivatives and the preparation thereof ICI PLC (GB) 1998-11-18 CN claimed
US-5602172-A USING A 2,5-DIPHENYLFURAN COMPOUND THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-02-11 US claimed
EP-0329360-B1 Pyridine derivatives ICI PLC (GB) 1994-08-03 EP claimed
US-5166213-A Antiischemic agents, cardiovascular disorders, antiasthmatics or antiinflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-24 US claimed
CN-1035115-A Pyridine derivate and preparation method thereof ICI PLC (GB) 1989-08-30 CN claimed
EP-0329360-A2 Pyridine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-23 EP claimed