SCHEMBL28166805

SCHEMBL28166805

C=CC1=CCN(CC)C=C1.COS(=O)(=O)O

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
SCHEMBL28317199 0.90
SCHEMBL6038278 0.85
Bromide SCHEMBL27493302 0.83
Iodide SCHEMBL31300220 0.83
Iodide SCHEMBL31300221 0.83
SCHEMBL27643774 0.81
SCHEMBL27877171 0.74
SCHEMBL27666911 0.73
SCHEMBL27863125 0.73 APP (0.31)
SCHEMBL31300219 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104395352-B Controlled radical polymerization in water-water dispersion 罗地亚经营管理公司 2017-07-14 CN claimed
CN-101124262-B Composition capable of forming gel containing copolymer and usable copolymer RHONE POULENC CHIMIE 2012-04-25 CN claimed
CN-101124262-A Composition capable of forming a gel comprising a copolymer, and useful copolymers RHONE POULENC CHIMIE (FR) 2008-02-13 CN claimed
CN-101124262-B Composition capable of forming gel containing copolymer and usable copolymer RHONE POULENC CHIMIE 2012-04-25 CN disclosed
CN-101124262-A Composition capable of forming a gel comprising a copolymer, and useful copolymers RHONE POULENC CHIMIE (FR) 2008-02-13 CN disclosed