SCHEMBL1695333

SCHEMBL1695333

C=CC(C=C)[n+]1ccccc1

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
SCHEMBL18035806 0.72
SCHEMBL8827254 0.72
SCHEMBL6136744 0.72
SCHEMBL10697550 0.72
SCHEMBL11229951 0.72
SCHEMBL7052944 0.72 HDAC8 (0.33)
Hydrochloric Acid SCHEMBL8919518 0.70 HDAC8 (0.32)
Iodide SCHEMBL11385777 0.70
Hydrochloric Acid SCHEMBL8922699 0.70 HDAC8 (0.32)
Hydrochloric Acid SCHEMBL6674511 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016066271-A1 USE OF A POLY(IONIC LIQUID) AS A BINDER MATERIAL FOR ELECTRODES IN ELECTROCHEMICAL DEVICES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2016-05-06 WO disclosed
EP-3016186-A1 Use of a poly(ionic liquid) as a binder material for electrodes in electrochemical devices Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-05-04 EP disclosed
EP-1799828-B1 Biosynthesis of phloroglucinol and preparation of 1,3-dihydroxybenzene therefrom UNIV MICHIGAN STATE (US) 2013-05-01 EP disclosed
US-8329445-B2 Biosynthesis of phloroglucinol and preparation of 1,3-dihydroxybenzene therefrom BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2012-12-11 US disclosed
WO-2012003461-A2 PHLOROGLUCINOL SYNTHASES AND METHODS OF MAKING AND USING THE SAME DRATHS CORPORATION (US) 2012-01-05 WO disclosed
US-20110183391-A1 Biosynthesis of Phloroglucinol and Preparation of 1,3-Dihydroxybenzene Therefrom BOARD OF TRUSTEES OF MICHIGAN STATE OF UNIVERSITY (US) 2011-07-28 US disclosed
US-7943362-B2 Biosynthesis of phloroglucinol and preparation of 1,3-dihydroxybenzene therefrom BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2011-05-17 US disclosed
US-20070178571-A1 Biosynthesis of phloroglucinol and preparation of 1,3-dihydroxybenzene therefrom BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-08-02 US disclosed
EP-1799828-A2 BIOSYNTHESIS OF PHILOROGLUCINOL AND PREPARATION OF 1,3-DIHYDROXYBENZENE THEREFROM Board of Trustees of Michigan State University (US) 2007-06-27 EP disclosed
WO-2006044290-A2 BIOSYNTHESIS OF PHILOROGLUCINOL AND PREPARATION OF 1,3-DIHYDROXYBENZENE THEREFROM BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2006-04-27 WO disclosed
US-4237016-A NONIONIC SOFTENING AGENT AND A POLYMERIC CATIONIC SALT THE PROCTER & GAMBLE COMPANY (US) 1980-12-02 US disclosed
EP-0002085-A2 Textile conditioning compositions with low content of cationic guar gum THE PROCTER &amp; GAMBLE COMPANY (US) 1979-05-30 EP disclosed