SCHEMBL2016836

SCHEMBL2016836

CCC(C)([O])OC(C)C

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
SCHEMBL232401 0.79
SCHEMBL13811806 0.73 TSHR (0.35)
SCHEMBL9499055 0.71 TSHR (0.39)
SCHEMBL3146943 0.71
SCHEMBL198554 0.69
SCHEMBL524327 0.69 ALDH1A1 (0.39)
SCHEMBL13641909 0.67
SCHEMBL9773432 0.67
SCHEMBL9499081 0.67
SCHEMBL13641612 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0128350-B1 PYRIMIDYLPHOSPHORIC-ACID DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AG (DE) 1987-11-25 EP claimed
US-9879028-B2 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. (US) 2018-01-30 US disclosed
US-9670232-B2 Molecular precursor compounds for zinc-group 13 mixed oxide materials TRANSTRON SOLUTIONS LLC (US) 2017-06-06 US disclosed
EP-3102541-A1 MOLECULAR PRECURSOR COMPOUNDS FOR INDIUM GALLIUM ZINC OXIDE MATERIALS TRANSTRON SOLUTIONS LLC (US) 2016-12-14 EP disclosed
US-9455142-B2 Molecular precursor compounds for ABIGZO zinc-group 13 mixed oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-09-27 US disclosed
US-9404002-B2 Molecular precursor compounds for indium gallium zinc oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-08-02 US disclosed
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-20150218190-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150221506-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABIGZO ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-20150221771-A1 MOLECULAR PRECURSOR COMPOUNDS FOR ABGZO ZINC-GROUP 13 MIXED OXIDE MATERIALS PRECURSOR ENERGETICS, INC. (US) 2015-08-06 US disclosed
US-7135491-B2 5-Aryltetrazole compounds and uses thereof INOTEK PHARMACEUTICALS CORP. (US) 2006-11-14 US disclosed
US-7087631-B2 Aryltetrazole compounds, and compositions thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2006-08-08 US disclosed
US-20060135519-A2 5-ARYLTETRAZOLE COMPOUNDS AND COMPOSITIONS THEREOF NIVOROZHKIN ALEXANDER 2006-06-22 US disclosed
US-20050159418-A1 5-Aryltetrazoles compounds and compositions thereof NIVOROZHKIN ALEX (US) 2005-07-21 US disclosed
US-20050159467-A1 5-Aryltetrazole compounds and uses thereof NIVOROZHKIN ALEX (US) 2005-07-21 US disclosed
EP-1542980-A1 5-ARYLTETRAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND USES THEREFOR Inotek Pharmaceuticals Corporation (US) 2005-06-22 EP disclosed
US-20040116423-A1 5-Aryltetrazole compounds, compositions thereof, and uses therefor INOTEK PHARMACEUTICALS CORPORATION 2004-06-17 US disclosed
WO-2004009563-A1 5-ARYLTETRAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND USES THEREFOR INOTEK PHARMACEUTICALS CORPORATION (US) 2004-01-29 WO disclosed
EP-0155580-B1 MONOAZO DYESTUFFS, PROCESS FOR THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1987-01-28 EP disclosed
US-4568375-A GOOD PRE-EMERGENCE ACTIVITY AGAINST A BROAD SPECTRUM OF BOTH BROAD LEAF PLANTS AND GRASSY PLANTS CHEVRON RESEARCH COMPANY (US) 1986-02-04 US disclosed