SCHEMBL1040949

SCHEMBL1040949

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
SCHEMBL7540941 0.87
SCHEMBL270893 0.86
SCHEMBL181898 0.81
SCHEMBL3475221 0.81
SCHEMBL61261 0.81
SCHEMBL19514784 0.81
SCHEMBL2762032 0.78
SCHEMBL1029264 0.78
SCHEMBL6013726 0.78
SCHEMBL667574 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 CN disclosed
CN-111032671-B Protected tetraose, method for the production thereof and use thereof as a substrate for transglucosidase receptors in the chemoenzymatic synthesis of shigella flexneri-specific oligosaccharides 巴斯德研究所 2024-01-12 CN disclosed
US-20240002423-A1 PROTECTED TETRASACCHARIDES, THEIR PROCESS OF PREPARATION AND THEIR USE AS TRANSGLUCOSYLASE ACCEPTOR SUBSTRATES IN THE CHEMO-ENZYMATIC SYNTHESIS OF SHIGELLA FLEXNERI SPECIFIC OLIGOSACCHARIDES PASTEUR INSTITUT (FR) 2024-01-04 US disclosed
US-11834468-B2 Protected tetrasaccharides, their process of preparation and their use as transglucosylase acceptor substrates in the chemo-enzymatic synthesis of Shigella flexneri specific oligosaccharides INSTITUT PASTEUR (FR) 2023-12-05 US disclosed
CN-107849594-B Deamination of organophosphorus nucleosides 科技学专业学院有限公司 2022-01-18 CN disclosed
US-20200165285-A1 PROTECTED TETRASACCHARIDES, THEIR PROCESS OF PREPARATION AND THEIR USE AS TRANSGLUCOSYLASE ACCEPTOR SUBSTRATES IN THE CHEMO-ENZYMATIC SYNTHESIS OF SHIGELLA FLEXNERI SPECIFIC OLIGOSACCHARIDES INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (FR) 2020-05-28 US disclosed
EP-3649141-A1 PROTECTED TETRASACCHARIDES, THEIR PROCESS OF PREPARATION AND THEIR USE AS TRANSGLUCOSYLASE ACCEPTOR SUBSTRATES IN THE CHEMO-ENZYMATIC SYNTHESIS OF SHIGELLA FLEXNERI SPECIFIC OLIGOSACCHARIDES Institut Pasteur (FR) 2020-05-13 EP disclosed
CN-111032671-A Protected tetrasaccharide, method for its preparation, and use thereof as a substrate for the transglucosylase receptor in the chemoenzymatic synthesis of shigella flexneri-specific oligosaccharides 巴斯德研究所 2020-04-17 CN disclosed
WO-2019007999-A1 PROTECTED TETRASACCHARIDES, THEIR PROCESS OF PREPARATION AND THEIR USE AS TRANSGLUCOSYLASE ACCEPTOR SUBSTRATES IN THE CHEMO-ENZYMATIC SYNTHESIS OF SHIGELLA FLEXNERI SPECIFIC OLIGOSACCHARIDES INSTITUT PASTEUR (FR) 2019-01-10 WO disclosed
US-20120142911-A1 SYNTHESIS OF TTX INTERMEDIATES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2012-06-07 US disclosed
WO-2007054517-A1 SYNTESIS OF TETRODOTOXIN , ITS ANALOGUES AND INTERMEDIATES THEREOF LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-18 WO disclosed
EP-1785427-A1 Syntesis of tetrodotoxin, its analogues and intermediates thereof LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-16 EP disclosed
EP-1747197-A1 REGIOSELECTIVE FUNCTIONALISATION AND PROTECTION OF SPIROLACTAMS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-31 EP disclosed
US-20060148778-A1 Ultraviolet radiation absorbers; such as 1 azaspiro(3,5)nona-5,8-dione derivative substituted in first position with oxy, thio or carbonyl group LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 US disclosed
EP-1676836-A1 Regioselective hydroxylation, functionalisation and protection of spirolactams II LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-05 EP disclosed
WO-2006065357-A1 METHOD OF MAKING NANOCOMPOSITES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-22 WO disclosed
US-20060128867-A1 Method of making composites and nanocomposites 3M INNOVATIVE PROPERTIES COMPANY 2006-06-15 US disclosed
US-20050261492-A1 Regioselective hydroxylation, functionalisation and protection of spirolactams LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2005-11-24 US disclosed
EP-1598336-A1 Regioselective hydroxylation, functionalisation and protection of spirolactams LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-11-23 EP disclosed
WO-2005108357-A1 REGIOSELECTIVE FUNCTIONALISATION AND PROTECTION OF SPIROLACTAMS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-11-17 WO disclosed