SCHEMBL17076446

SCHEMBL17076446

C=C(C)C(=O)N[N+](C)(C)CCC.CCCC(OS(=O)(=O)[O-])(C(=O)[O-])[N+](C)(C)C

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
SCHEMBL17076427 0.84
SCHEMBL18696083 0.77
SCHEMBL34095 0.74 TGFBR1 (0.33)
Hydrochloric Acid SCHEMBL7945238 0.72 TSHR (0.32)
SCHEMBL9188552 0.72 ALDH1A1 (0.31)
SCHEMBL5449299 0.71
SCHEMBL8780217 0.69 TSHR (0.39)
SCHEMBL18040136 0.64
SCHEMBL2773074 0.63 TSHR (0.41)
SCHEMBL6222153 0.63 TSHR (0.41)

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
US-9434858-B2 Hydrophilic coating agent OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-09-06 US claimed
US-10138312-B2 Protein adhesion inhibitor AGC Inc. (JP) 2018-11-27 US disclosed
US-20170101497-A1 PROTEIN ADHESION INHIBITOR ASAHI GLASS COMPANY, LIMITED (JP) 2017-04-13 US disclosed
US-9434858-B2 Hydrophilic coating agent OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-09-06 US disclosed
US-20150259570-A1 HYDROPHILIC COATING AGENT OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2015-09-17 US disclosed