SCHEMBL9905350

SCHEMBL9905350

C=CCN1C=CN(CCO)C1

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
Bromide SCHEMBL28977628 0.98
SCHEMBL87312 0.84 CYP3A4 (0.32)
Hydrochloric Acid SCHEMBL572769 0.82 CYP3A4 (0.31)
Bromide SCHEMBL1045354 0.82 CYP3A4 (0.31)
Iodide SCHEMBL2341578 0.82 CYP3A4 (0.31)
SCHEMBL3816759 0.82 AGL (0.30)
SCHEMBL4366095 0.81
Bromide SCHEMBL30913592 0.79
Bromide SCHEMBL30913591 0.79
SCHEMBL3304997 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157579-A1 Azolium Ionomer Derivatives of Halogenated Polymers QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-21 US claimed
WO-2012075574-A1 AZOLIUM IONOMER DERIVATIVES OF HALOGENATED POLYMERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-14 WO claimed
US-20120157579-A1 Azolium Ionomer Derivatives of Halogenated Polymers QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-21 US disclosed
WO-2012075574-A1 AZOLIUM IONOMER DERIVATIVES OF HALOGENATED POLYMERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-14 WO disclosed
US-4921890-A Process for improving polymer substrate properties, and flame retardancy modified polymers produced thereby INTERA COMPANY, LTD. (US) 1990-05-01 US disclosed
US-4790907-A Synthetic fiber INTERA COMPANY, LTD. (US) 1988-12-13 US disclosed
US-4726968-A EMULSION POLYMERIZATION OF WATER-SOLUBLE CROSSLINKING VINYL MONOMER INTERA COMPANY, LTD., A TENNESSEE LIMITED PARTNERSHIP (US) 1988-02-23 US disclosed