SCHEMBL139717

SCHEMBL139717

CC(C)C(=O)C(C)(C)[C]=O

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
SCHEMBL28744105 0.79 DPP4 (0.31)
SCHEMBL11496222 0.79
SCHEMBL16939151 0.76 DPP4 (0.32)
SCHEMBL3723085 0.71 SLC7A5 (0.48)
SCHEMBL23643845 0.69 TP53 (0.32)
SCHEMBL8461804 0.69 TP53 (0.32)
SCHEMBL268874 0.69
SCHEMBL959198 0.67
SCHEMBL7064786 0.67
SCHEMBL1267257 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340012-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2023-10-26 US disclosed
US-20230159436-A1 APPLICATIONS OF AMIDE ANALOGS OF TRITERPENES IN CURES OF CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2023-05-25 US disclosed
US-20200199172-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2020-06-25 US disclosed
US-10590163-B2 Natural and synthetic compounds for treating cancer and other diseases PACIFIC ARROW LIMITED (CN) 2020-03-17 US disclosed
WO-2018167677-A1 NOVEL DITHIOLANE COMPOUND OR A SALT OR AN N-OXIDE AND USE THEREOF OAT & IIL INDIA LABORATORIES PRIVATE LIMITED (IN) 2018-09-20 WO disclosed
WO-2018138692-A1 NOVEL FUNGICIDAL CARBAMATE COMPOUNDS INSECTICIDES (INDIA) LIMITED (IN) 2018-08-02 WO disclosed
US-20170267714-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2017-09-21 US disclosed
US-20170022246-A1 NATURAL AND SYNTHETIC COMPOUNDS FOR TREATING CANCER AND OTHER DISEASES PACIFIC ARROW LTD (CN) 2017-01-26 US disclosed
US-9499577-B2 Natural and synthetic compounds for treating cancer and other diseases PACIFIC ARROW LTD (CN) 2016-11-22 US disclosed
US-9434677-B2 Natural and synthetic compounds for treating cancer and other diseases PACIFIC ARROW LIMITED (HK) 2016-09-06 US disclosed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP disclosed
US-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-12-16 US disclosed
WO-2010086350-A1 9-DEOXO- 9A-METHYL- 9A- AZA- 9A-H0M0ERYTHR0MYCIN A DERIVATIVES FOR THE TREATMENT OF NEUTROPHIL DOMINATED INFLAMMATORY DISEASES GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2010-08-05 WO disclosed
US-20100137582-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA CHEMICAL CO., LTD. (JP) 2010-06-03 US disclosed
US-7560550-B2 Method for the production of OH protected[4-(2.6-diamino-9H-purine-9-yl)-1.3-dioxolane-2-yl]methanol derivatives RFS PHARMA, LLC (US) 2009-07-14 US disclosed
US-20070270436-A1 NOVEL AMINO- AND IMINO-ALKYLPIPERAZINES RECORDATI IRELAND LIMITED (IE) 2007-11-22 US disclosed
EP-1648894-B1 METHOD FOR THE PRODUCTION OF OH PROTECTED [4-(2.6-DIAMINO-9H-PURINE-9-YL)- 1.3-DIOXOLANE-2-YL]METHANOL DERIVATIVES WACKER CHEMIE AG (DE) 2007-09-12 EP disclosed
US-20060211855-A1 Method for the production of oh protected{4-(2.6-diamino-9h-purine-9-yl)-1.3-dioxolane-2-yl] methanol derivatives WACKER CHEMIE AG (DE) 2006-09-21 US disclosed
EP-1648894-A1 METHOD FOR THE PRODUCTION OF OH PROTECTED [4-(2.6-DIAMINO-9H-PURINE-9-YL)- 1.3-DIOXOLANE-2-YL]METHANOL DERIVATIVES Wacker Chemie AG (DE) 2006-04-26 EP disclosed
WO-2005012302-A1 METHOD FOR THE PRODUCTION OF OH PROTECTED [4-(2.6-DIAMINO-9H-PURINE-9-YL)- 1.3-DIOXOLANE-2-YL]METHANOL DERIVATIVES WACKER CHEMIE AG (DE) 2005-02-10 WO disclosed