SCHEMBL198521

SCHEMBL198521

O=[C]CCC(O)[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
SCHEMBL285418 0.82
SCHEMBL3107554 0.75
SCHEMBL902520 0.73
SCHEMBL794985 0.73
SCHEMBL4040311 0.73
SCHEMBL6859963 0.73
SCHEMBL2542167 0.73
SCHEMBL4043070 0.71
SCHEMBL4971091 0.69
SCHEMBL9676261 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890405-B2 Recombinant bacterial cells producing (S)-2-amino-6-hydroxypimelate BIOAMBER INC. (US) 2018-02-13 US claimed
EP-3155106-A2 METHODS, REAGENTS AND CELLS FOR BIOSYNTHESIZING COMPOUND Invista Technologies S.à.r.l. (CH) 2017-04-19 EP claimed
EP-3155105-A1 METHODS, REAGENTS AND CELLS FOR BIOSYNTHESIZING COMPOUNDS Invista Technologies S.A R.L. (CH) 2017-04-19 EP claimed
WO-2015195654-A1 METHODS, REAGENTS AND CELLS FOR BIOSYNTHESIZING COMPOUNDS INVISTA TECHNOLOGIES S.A R.L. (CH) 2015-12-23 WO claimed
WO-2015195611-A2 METHODS, REAGENTS AND CELLS FOR BIOSYNTHESIZING COMPOUND INVISTA TECHNOLOGIES S.À.R.L. (CH) 2015-12-23 WO claimed
EP-2794897-A2 BIOCONVERSION PROCESS FOR PRODUCING NYLON-7, NYLON-7,7 AND POLYESTERS Invista Technologies S.a r.l. (CH) 2014-10-29 EP claimed
WO-2013096898-A2 BIOCONVERSION PROCESS FOR PRODUCING NYLON-7, NYLON-7,7 AND POLYESTERS INVISTA NORTH AMERICA S.A.R.L. (US) 2013-06-27 WO claimed
WO-2024150067-A2 ACYLOIN CONDENSATION REACTIONS, ENZYMES, AND PRODUCTS THEREOF MOJIA BIOTECH PTE. LTD. (SG) 2024-07-18 WO disclosed
EP-4384622-A2 CARBOXYLIC ACID PLATFORM FOR FUEL AND CHEMICAL PRODUCTION AT HIGH CARBON AND ENERGY EFFICIENCY Mojia Biotech Pte. Ltd. (SG) 2024-06-19 EP disclosed
CN-116514829-A Water-soluble antitumor prodrug, and pharmaceutical composition and application thereof 诺茗(北京)生物医药有限公司 2023-08-01 CN disclosed
CN-116514828-A Water-soluble antitumor prodrug, and pharmaceutical composition and application thereof 诺茗(北京)生物医药有限公司 2023-08-01 CN disclosed
WO-2023287814-A2 CARBOXYLIC ACID PLATFORM FOR FUEL AND CHEMICAL PRODUCTION AT HIGH CARBON AND ENERGY EFFICIENCY UNIVERSITY OF SOUTH FLORIDA (US) 2023-01-19 WO disclosed
CN-113788839-A Water-soluble anti-tumor prodrug, and pharmaceutical composition and application thereof 诺茗(北京)生物医药有限公司 2021-12-14 CN disclosed
US-20100216214-A1 hydrolysis of a hydroxyglutaryl nitrile to generate an ethyl 4-cyano-3-hydroxybutyrate; hydrolysis of a mandelonitrile to generate a mandelic acid; hydrolysis of phenyllactocyanonitrile to generate an (S)-phenyllactic acid VERENIUM CORPORATION (US) 2010-08-26 US disclosed
WO-2010081885-A2 METHOD FOR THE PRODUCTION OF GLUTACONATE BASF SE (DE) 2010-07-22 WO disclosed
US-20100009426-A1 synthetic or recombinant polypeptide having a nitrilase activity; have increased activity and stability at increased pH and temperature VERENIUM CORPORATION (US) 2010-01-14 US disclosed
US-7608445-B1 Nitrilases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2009-10-27 US disclosed
EP-1238068-A1 DIRECTED EVOLUTION OF BIOSYNTHETIC AND BIODEGRATION PATHWAYS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-09-11 EP disclosed
WO-2001042455-A9 DIRECTED EVOLUTION OF BIOSYNTHETIC AND BIODEGRATION PATHWAYS CALIFORNIA INST OF TECHN (US) 2002-05-30 WO disclosed
WO-2001042455-A1 DIRECTED EVOLUTION OF BIOSYNTHETIC AND BIODEGRATION PATHWAYS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2001-06-14 WO disclosed