SCHEMBL17870876

SCHEMBL17870876

[N-]=[N+]=NC=CCC1=NCCO1

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
SCHEMBL27868052 0.78 ADRA2A (0.31)
SCHEMBL6689400 0.71
SCHEMBL1083171 0.71
SCHEMBL11228967 0.71
SCHEMBL963725 0.71
SCHEMBL963727 0.71
SCHEMBL14660309 0.69
SCHEMBL25330884 0.68
SCHEMBL1268892 0.66
SCHEMBL225335 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3236936-B1 AMPHIPHILIC POLYMER SYSTEMS UNIV BASEL (CH) 2020-02-19 EP claimed
EP-3741357-A1 AMPHIPHILIC POLYMER SYSTEMS Universitätsspital Basel (CH) 2020-11-25 EP disclosed
EP-3236936-B1 AMPHIPHILIC POLYMER SYSTEMS UNIV BASEL (CH) 2020-02-19 EP disclosed
US-20170369655-A1 AMPHIPHILIC POLYMER SYSTEMS UNIVERSITÄTSSPITAL BASEL (CH) 2017-12-28 US disclosed
EP-3236936-A1 AMPHIPHILIC POLYMER SYSTEMS Universitätsspital Basel (CH) 2017-11-01 EP disclosed
WO-2016102663-A1 AMPHIPHILIC POLYMER SYSTEMS UNIVERSITÄTSSPITAL BASEL (CH) 2016-06-30 WO disclosed