SCHEMBL6539858

SCHEMBL6539858

COC(CN)C(=O)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
Hydrochloric Acid SCHEMBL28754350 1.00
Hydrochloric Acid SCHEMBL21056277 0.80 GABRR1 (0.50)
SCHEMBL21056291 0.80
SCHEMBL6540098 0.80
SCHEMBL13591172 0.80
SCHEMBL21304164 0.79
SCHEMBL25930550 0.79
SCHEMBL6789915 0.78 SLC1A3 (0.39)
SCHEMBL6787830 0.78 SLC1A3 (0.39)
SCHEMBL21604730 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023130070-A2 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2023-07-06 WO claimed
WO-2023130070-A2 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
WO-2021081207-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-04-29 WO disclosed
US-20090305382-A1 ALKOXY INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-10 US disclosed
US-7629339-B2 inhibitors of protein kinases and are useful in treating cancer; 4-({5-[5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl}-amino)-3-methoxy-butyric acid; anticarcinogenic agent THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-08 US disclosed
WO-2007056279-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056184-A2 AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056281-A2 MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2007056280-A1 INDOLE COMPOUNDS HAVING C4-ACIDIC SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
WO-2004099131-A2 COMPOUNDS HAVING A FUSED, BICYCLIC MOIETY FOR BINDING TO THE MINOR GROOVE OF DSDNA PHARMACIA CORPORATION (US) 2004-11-18 WO disclosed
US-6733985-B1 FOR MONITORING EXTRINSIC BLOOD COAGULATION ACTIVITIES; PREPARED FROM RECOMBINANT TISSUE FACTOR AND SYNTHETIC PHOSPHOLIPIDS INTERNATIONAL TECHNIDYNE CORPORATION 2004-05-11 US disclosed
EP-0528997-B1 DISULFIDE DERIVATIVES OF MERCAPTOACYLAMINO ACIDS SCHERING CORP (US) 1995-02-01 EP disclosed
EP-0393441-B1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1993-05-26 EP disclosed
EP-0467957-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1992-01-29 EP disclosed
WO-1990012003-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1990-10-18 WO disclosed
EP-0051234-B1 A PROCESS FOR THE PRODUCTION OF A 2-AZETIDINONE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-03-13 EP disclosed
EP-0051234-A1 A process for the production of a 2-azetidinone derivative ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1982-05-12 EP disclosed