Butadiene

Butadiene

SCHEMBL367307

C=CC=C.C=C[n+]1ccccc1

nearest known ligand 0.00

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⚠ 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
SCHEMBL33807 0.93
Bromide SCHEMBL910218 0.90
Water SCHEMBL17291886 0.90
Bromide SCHEMBL5435801 0.90
Iodide SCHEMBL1895751 0.90
Bromide SCHEMBL7692577 0.90
Hydrochloric Acid SCHEMBL524740 0.90
Bromide SCHEMBL7692579 0.90 BCHE (0.30)
Hydrochloric Acid SCHEMBL1226867 0.90
Fluoride Ion SCHEMBL324687 0.90

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
EP-1973001-B1 Photoreceptor device having a self-assembled patterned binder layer XEROX CORP (US) 2013-08-28 EP claimed
US-7794905-B2 Photoreceptor device having a self-assembled patterned binder layer XEROX CORPORATION (US) 2010-09-14 US claimed
US-20080233297-A1 METHODS OF FORMING A PHOTORECEPTOR DEVICE HAVING A SELF-ASSEMBLED PATTERNED BINDER LAYER XEROX CORPORATION (US) 2008-09-25 US claimed
US-20080233500-A1 PHOTORECEPTOR DEVICE HAVING A SELF-ASSEMBLED PATTERNED BINDER LAYER XEROX CORPORATION (US) 2008-09-25 US claimed
EP-1972583-A2 High speed shingled sheets compiler Xerox Corporation (US) 2008-09-24 EP claimed
EP-1973001-A1 Photoreceptor device having a self-assembled patterned binder layer Xerox Corporation (US) 2008-09-24 EP claimed
EP-1973001-B1 Photoreceptor device having a self-assembled patterned binder layer XEROX CORP (US) 2013-08-28 EP disclosed
US-8097387-B2 Photoreceptors comprising aligned nano-sized domains of charge transport components that have significant intermolecular pi-pi orbital overlap XEROX CORPORATION (US) 2012-01-17 US disclosed
US-7794905-B2 Photoreceptor device having a self-assembled patterned binder layer XEROX CORPORATION (US) 2010-09-14 US disclosed
US-20090226829-A1 PHOTORECEPTORS COMPRISING ALIGNED NANO-SIZED DOMAINS OF CHARGE TRANSPORT COMPONENTS THAT HAVE SIGNIFICANT INTERMOLECULAR PI-PI ORBITAL OVERLAP XEROX CORPORATION (US) 2009-09-10 US disclosed
US-20080233297-A1 METHODS OF FORMING A PHOTORECEPTOR DEVICE HAVING A SELF-ASSEMBLED PATTERNED BINDER LAYER XEROX CORPORATION (US) 2008-09-25 US disclosed
US-20080233500-A1 PHOTORECEPTOR DEVICE HAVING A SELF-ASSEMBLED PATTERNED BINDER LAYER XEROX CORPORATION (US) 2008-09-25 US disclosed
EP-1973001-A1 Photoreceptor device having a self-assembled patterned binder layer Xerox Corporation (US) 2008-09-24 EP disclosed