SCHEMBL822429

SCHEMBL822429

CC[C@H](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
SCHEMBL10489503 1.00
SCHEMBL93407 1.00
SCHEMBL425852 1.00
SCHEMBL30033233 1.00
SCHEMBL842357 0.97
SCHEMBL8723287 0.97
SCHEMBL18259771 0.84 ALDH1A1 (0.41)
Tetrahydrofuran SCHEMBL8912584 0.81 ALDH1A1 (0.40)
SCHEMBL3668894 0.77 ALDH1A1 (0.32)
SCHEMBL17953985 0.77 PTPN1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111253330-B Novel crystal form of sartan drug, preparation method and application thereof 广州白云山天心制药股份有限公司 2023-01-24 CN claimed
CN-101223149-A Process for preparing valsartan TEVA PHARMA (IL) 2008-07-16 CN claimed
US-20240066141-A1 LINKERS, CONJUGATES AND APPLICATIONS THEREOF GENEQUANTUM HEALTHCARE (SUZHOU) CO., LTD. (CN) 2024-02-29 US disclosed
EP-4320254-A1 SUSTAINABLE PROCESS FOR THE PREPARATION OF 5-METHYLHEPT-2-EN-4-ONE Symrise AG (DE) 2024-02-14 EP disclosed
US-20230382946-A1 POLYPEPTIDE OR PROTEIN DIRECTIONAL MODIFICATION METHOD BASED ON SULFHYDRYL-ALKENYL AZIDE COUPLING Changzhou University (CN) 2023-11-30 US disclosed
US-20230310532-A1 FOOD EXTRACTS, METHODS OF EXTRACTION AND COMPOSITIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-10-05 US disclosed
CN-111253330-B Novel crystal form of sartan drug, preparation method and application thereof 广州白云山天心制药股份有限公司 2023-01-24 CN disclosed
WO-2022214180-A1 SUSTAINABLE PROCESS FOR THE PREPARATION OF 5-METHYLHEPT-2-EN-4-ONE SYMRISE AG (DE) 2022-10-13 WO disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
EP-3219743-A1 HYDROPHOBICALLY MODIFIED UREA ETHERS AS STRUCTURANTS FOR HYDROPHOBIC SYSTEMS Procter & Gamble International Operations SA (CH) 2017-09-20 EP disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20090136974-A1 Luciferin Luminescent Substrate of Marine Ostracod Crustacean and Method for Production Thereof NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE TECHNOLOGY (JP) 2009-05-28 US disclosed
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
WO-2009056539-A1 FERMENTATIVE PRODUCTION OF SIMVASTATIN DSM IP ASSETS B.V. (NL) 2009-05-07 WO disclosed
EP-1213020-B1 Compounds and pharmaceutical compositions having appetite suppressant activity CSIR (ZA) 2009-02-11 EP disclosed
US-20080200581-A1 CURABLE COMPOSITION AND PROCESS FOR PRODUCING CURED COATING FUJIFILM CORPORATION (JP) 2008-08-21 US disclosed
CN-101223149-A Process for preparing valsartan TEVA PHARMA (IL) 2008-07-16 CN disclosed
WO-2007147801-A1 METHOD FOR THE PRODUCTION OF SIMVASTATIN DSM IP ASSETS B.V. (NL) 2007-12-27 WO disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed