SCHEMBL948388

SCHEMBL948388

CCC(=O)OCC=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
SCHEMBL8744192 0.81 NAAA (0.44)
SCHEMBL8744195 0.81 NAAA (0.44)
SCHEMBL11292223 0.81 NAAA (0.44)
SCHEMBL8421638 0.81 NAAA (0.44)
SCHEMBL1843295 0.80
SCHEMBL18125686 0.80 NAAA (0.45)
SCHEMBL12440385 0.80 GAA (0.34)
SCHEMBL3923421 0.79
SCHEMBL1853832 0.78 NAAA (0.30)
Methyl Alcohol SCHEMBL27477393 0.78 ALDH1A1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109313388-B Negative photosensitive composition 住友电木株式会社 2022-06-21 CN claimed
EP-3151836-A2 COMPOSITION COMPRISING CYCLODEXTRIN AND BUDESONIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF PULMONARY INFLAMMATIONS Université de Liège (BE) 2017-04-12 EP claimed
US-20160051568-A1 CYCLODEXTRIN AND BUDESONIDE DERIVATIVE COMPOSITIONS AND METHODS MAES PAUL (BE) 2016-02-25 US claimed
EP-2923702-A1 Composition of cyclodextrin with budesonide derivatives for treatment and prevention of pulmonary inflammatory disease Universite De Liege (BE) 2015-09-30 EP claimed
CN-102216299-A 2, 5-diamino-substituted pyrido [4, 3-d] pyrimidines as autotaxin inhibitors against cancer MERCK PATENT GMBH 2011-10-12 CN claimed
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 EP claimed
CN-1620295-A Preparation of intermediates for the synthesis of antiviral nucleosides PHARMASSET LTD (BB) 2005-05-25 CN claimed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP claimed
US-20030162992-A1 Reacting a 2,2-dialkoxyethyl halide with an appropriate carboxylate compound to obtain acetal compound; hydrolyzing the acetal to form the alpha -acyloxyacetaldehyde PHARMASSET, INC. 2003-08-28 US claimed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO claimed
US-6348504-B1 COMPOUNDS WITH AMIDINE OR GUANIDINE GROUPS AND CARBOXY OR ESTER GROUPS THROMBOLYTICS AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS. DUPONT PHARMACEUTICALS COMPANY 2002-02-19 US claimed
US-4873362-A REACTING AN ACYLOXYACETALDEHYDE WITH AN ALDEHYDE USING AN AMINE AND ACID CATALYST SYSTEM BASF AKTIENGESELLSCHAFT (DE) 1989-10-10 US claimed
US-12624309-B2 Enol ether properfume FIRMENICH SA (CH) 2026-05-12 US disclosed
US-12616948-B2 Polyamide microcapsules FIRMENICH SA (CH) 2026-05-05 US disclosed
EP-4090453-B1 MICROCAPSULES COATED WITH A POLYSUCCINIMIDE DERIVATIVE FIRMENICH & CIE (CH) 2026-04-29 EP disclosed
US-20260102324-A1 PERFUMING COMPOSITIONS COMPRISING A 2-(ALKYLSULFONYL)OCTAN-4-ONE FIRMENICH SA (CH) 2026-04-16 US disclosed
EP-0714897-A1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 EP disclosed
CN-1052857-A The preparation method of the pyridazine amine that antipicornaviral is used JANSSEN PHARMACEUTICA NV (BE) 1991-07-10 CN disclosed
US-4873362-A REACTING AN ACYLOXYACETALDEHYDE WITH AN ALDEHYDE USING AN AMINE AND ACID CATALYST SYSTEM BASF AKTIENGESELLSCHAFT (DE) 1989-10-10 US disclosed
US-4472386-A 5-Fluoro-(β-uridine or 2'-deoxy-β-uridine) derivatives, a process for producing the same and a carcinostatic agent containing the same TOYAMA CHEMICAL CO., LTD. (JP) 1984-09-18 US disclosed