SCHEMBL4028671

SCHEMBL4028671

[CH2]CC(C=O)OCC

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
SCHEMBL8941926 0.81
SCHEMBL4641210 0.81
SCHEMBL3880423 0.79
SCHEMBL10432238 0.78 TSHR (0.35)
SCHEMBL10742171 0.77
SCHEMBL2987089 0.76 TSHR (0.34)
SCHEMBL7328517 0.75
SCHEMBL8507858 0.75 THRB (0.35)
SCHEMBL7770477 0.75
SCHEMBL3168705 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103274988-B 3-(cyano group-p-nitrobenzoyl support group)-2-indolone derivatives and preparation method and use thereof HEBEI UNIVERSITY (CN) 2016-04-13 CN claimed
CN-103274988-A 3-(cyano-p-nitrobenzene methylene)-2-indolone derivative and synthesis method and application thereof UNIV HEBEI 2013-09-04 CN claimed
EP-0851899-A1 BENZOTHIOPHENE-2-CARBOXAMIDE-S,S-DIOXIDES FOR USE IN ANTI-FOULING APPLICATIONS BAYER AG (DE) 1998-07-08 EP claimed
WO-1997011131-A1 BENZOTHIOPHENE-2-CARBOXAMIDE-S,S-DIOXIDES FOR USE IN ANTI-FOULING APPLICATIONS BAYER AKTIENGESELLSCHAFT (DE) 1997-03-27 WO claimed
EP-0355597-A1 Substituted dioxolanylethylamines, process for their preparation, their use in pesticides, and intermediates BAYER AG (DE) 1990-02-28 EP claimed
CN-103274988-B 3-(cyano group-p-nitrobenzoyl support group)-2-indolone derivatives and preparation method and use thereof HEBEI UNIVERSITY (CN) 2016-04-13 CN disclosed
CN-103274988-A 3-(cyano-p-nitrobenzene methylene)-2-indolone derivative and synthesis method and application thereof UNIV HEBEI 2013-09-04 CN disclosed
CN-102686556-A Opening of lactones and lactams NOVARTIS AG 2012-09-19 CN disclosed
CN-102260188-A organic compounds 2011-11-30 CN disclosed
EP-1717226-B1 2,7-SUBSTITUTED 5-AMINO-4-HYDROXY-8-(1H-INDOL-5-YL)-OCTAN AMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION SPEEDEL EXPERIMENTA AG (CH) 2009-01-21 EP disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
US-20070066604-A1 Diaminoalcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 US disclosed
EP-0689507-A1 INK RIBBONS CONTAINING COMPOUNDS ABSORBING IN THE IR REGION BASF AKTIENGESELLSCHAFT (DE) 1996-01-03 EP disclosed
EP-0656929-A1 USE OF COMPOUNDS WHICH ABSORB AND/OR FLUORESCE IN THE I/R RANGE AS MARKERS FOR LIQUIDS. BASF AG (DE) 1995-06-14 EP disclosed
EP-0630354-A1 MOLECULAR SIEVES CONTAINING AZO DYES. BASF AG (DE) 1994-12-28 EP disclosed
WO-1994021471-A1 INK RIBBONS CONTAINING COMPOUNDS ABSORBING IN THE IR REGION BASF AKTIENGESELLSCHAFT (DE) 1994-09-29 WO disclosed
WO-1993017965-A1 MOLECULAR SIEVES CONTAINING AZO DYES BASF AKTIENGESELLSCHAFT (DE) 1993-09-16 WO disclosed
EP-0351615-A1 Process for the preparation of 4-alkoxy-2-hydroxybenzophenone-5-sulfonic acids BASF Aktiengesellschaft (DE) 1990-01-24 EP disclosed
US-4837310-A LIGHTFAST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-06 US disclosed
US-4069323-A INHIBITION AND SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-17 US disclosed