SCHEMBL1004160

SCHEMBL1004160

C#CCN(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
SCHEMBL2273077 0.74
SCHEMBL6790967 0.73
SCHEMBL945745 0.72
SCHEMBL12879759 0.69
SCHEMBL28815195 0.69
SCHEMBL10778797 0.69
SCHEMBL11873606 0.67
SCHEMBL27414976 0.67
SCHEMBL20136197 0.67 KDM4E (0.32)
SCHEMBL27990198 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0173821-B1 SUBSTITUTED 5-AMINO-1-PHENYL PYRAZOLES BAYER AG (DE) 1989-01-18 EP claimed
US-4740232-A Substituted 5-amino-1-phenylpyrazoles composition containing them and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-04-26 US claimed
US-4685956-A 1-aryl-5-hydrazino-pyrazoles, compositions containing them, and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1987-08-11 US claimed
EP-0212353-A2 1-Aryl-5-hydrazino-pyrazoles BAYER AG (DE) 1987-03-04 EP claimed
EP-0205021-A2 5-Amino-4-cyano-1-pyridyl pyrazoles BAYER AG (DE) 1986-12-17 EP claimed
EP-0173821-A1 Substituted 5-amino-1-phenyl pyrazoles BAYER AG (DE) 1986-03-12 EP claimed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
US-9540392-B2 Thienopyrimidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-10 US disclosed
EP-2852596-B1 THIENOPYRIMIDINES Bayer Pharma AG (DE) 2016-06-22 EP disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 US disclosed
EP-0173821-B1 SUBSTITUTED 5-AMINO-1-PHENYL PYRAZOLES BAYER AG (DE) 1989-01-18 EP disclosed
US-4740232-A Substituted 5-amino-1-phenylpyrazoles composition containing them and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-04-26 US disclosed
US-4685956-A 1-aryl-5-hydrazino-pyrazoles, compositions containing them, and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1987-08-11 US disclosed
EP-0212353-A2 1-Aryl-5-hydrazino-pyrazoles BAYER AG (DE) 1987-03-04 EP disclosed
EP-0205021-A2 5-Amino-4-cyano-1-pyridyl pyrazoles BAYER AG (DE) 1986-12-17 EP disclosed
EP-0173821-A1 Substituted 5-amino-1-phenyl pyrazoles BAYER AG (DE) 1986-03-12 EP disclosed