SCHEMBL3962054

SCHEMBL3962054

C=C=CC1=NCCN1

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
Hydrochloric Acid SCHEMBL5692903 0.71
SCHEMBL95257 0.69
SCHEMBL4608595 0.69
SCHEMBL3251507 0.69
Iodide SCHEMBL6965993 0.67
Bromide SCHEMBL6965208 0.67
Bicarbonate SCHEMBL7592022 0.65 NISCH (0.47)
SCHEMBL9651007 0.65
SCHEMBL14062535 0.65
Sulfuric Acid SCHEMBL588321 0.64 RAD52 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080276834-A1 BITUMINOUS ROADBUILDING MATERIALS, IN PARTICULAR COLD MIXES AND EMULSION-STABILIZED GRAVEL, AND ROAD PAVEMENTS FORMED FROM THESE MATERIALS CECA S.A. (FR) 2008-11-13 US claimed
EP-1990368-A1 Bituminous road materials, in particular cold-encased and emulsion gravel, and road surface formed using these materials CECA S.A. (FR) 2008-11-12 EP claimed
US-20060086288-A1 Bituminous emulsions, their method of preparation and their use for the production of materials and road pavements CECA S.A. (FR) 2006-04-27 US claimed
EP-1649925-A1 Bituminous emulsions, methods for their preparation and their use in materials and coatings for roads CECA S.A. (FR) 2006-04-26 EP claimed
US-7510606-B2 Bituminous emulsions, their method of preparation and their use for the production of materials and road pavements CECA S.A. (FR) 2009-03-31 US disclosed
US-20080276834-A1 BITUMINOUS ROADBUILDING MATERIALS, IN PARTICULAR COLD MIXES AND EMULSION-STABILIZED GRAVEL, AND ROAD PAVEMENTS FORMED FROM THESE MATERIALS CECA S.A. (FR) 2008-11-13 US disclosed
EP-1990368-A1 Bituminous road materials, in particular cold-encased and emulsion gravel, and road surface formed using these materials CECA S.A. (FR) 2008-11-12 EP disclosed
US-20060086288-A1 Bituminous emulsions, their method of preparation and their use for the production of materials and road pavements CECA S.A. (FR) 2006-04-27 US disclosed
EP-1649925-A1 Bituminous emulsions, methods for their preparation and their use in materials and coatings for roads CECA S.A. (FR) 2006-04-26 EP disclosed