SCHEMBL1961400

SCHEMBL1961400

N#C/C=C/CC(=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
SCHEMBL1961401 1.00
SCHEMBL11050742 0.81 ALDH1A1 (0.37)
SCHEMBL11050754 0.81 ALDH1A1 (0.37)
SCHEMBL6103779 0.79
SCHEMBL9174584 0.79
SCHEMBL8771054 0.77
SCHEMBL175412 0.77 ALOX15 (0.34)
SCHEMBL7509847 0.76
SCHEMBL19280742 0.76
SCHEMBL7510460 0.76

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
US-9708563-B2 Lubricating composition containing an antiwear agent THE LUBRIZOL CORPORATION (US) 2017-07-18 US disclosed
US-20150267140-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT LUBRIZOL CORP (US) 2015-09-24 US disclosed
EP-2513270-B1 LUBRICATING COMPOSITION CONTAINING A NITRILE COMPOUND LUBRIZOL CORP (US) 2015-09-23 EP disclosed
US-8946135-B2 Lubricating composition containing a nitrile compound THE LUBRIZOL CORPORATION (US) 2015-02-03 US disclosed
US-20120309657-A1 Lubricating Composition Containing an Antiwear Agent THE LUBRIZOL CORPORATION (US) 2012-12-06 US disclosed
US-20120309655-A1 Lubricating Composition Containing a Nitrile Compound THE LUBRIZOL CORPORATION (US) 2012-12-06 US disclosed
EP-2513272-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT The Lubrizol Corporation (US) 2012-10-24 EP disclosed
EP-2513270-A1 LUBRICATING COMPOSITION CONTAINING A NITRILE COMPOUND The Lubrizol Corporation (US) 2012-10-24 EP disclosed
US-20110250509-A1 SECONDARY BATTERY AND ELECTRONIC DEVICE SONY CORPORATION (JP) 2011-10-13 US disclosed
US-20110250509-A1 SECONDARY BATTERY AND ELECTRONIC DEVICE SONY CORPORATION (JP) 2011-10-13 US disclosed
WO-2011075403-A1 LUBRICATING COMPOSITION CONTAINING AN ANTIWEAR AGENT THE LUBRIZOL CORPORATION (US) 2011-06-23 WO disclosed
WO-2011075401-A1 LUBRICATING COMPOSITION CONTAINING A NITRILE COMPOUND THE LUBRIZOL CORPORATION (US) 2011-06-23 WO disclosed