SCHEMBL5567172

SCHEMBL5567172

CCN(CCOCCOCCOCCOCC[N+](CC)(CC)CC)c1ccc(/N=N/c2sc(C#N)c(C)c2C#N)c(C)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
SCHEMBL7602572 0.99 MEN1 (0.30) —
SCHEMBL7603523 0.97 MEN1 (0.32) —
SCHEMBL15891799 0.94 MEN1 (0.30) —
SCHEMBL18831019 0.94 MEN1 (0.31) —
SCHEMBL18357529 0.90 MEN1 (0.32) —
SCHEMBL12936637 0.90 MEN1 (0.33) —
SCHEMBL15891842 0.90 MEN1 (0.31) —
SCHEMBL18357513 0.90 MEN1 (0.31) —
SCHEMBL14234891 0.89 MEN1 (0.32) —
SCHEMBL15597255 0.89 MEN1 (0.33) —

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-9556337-B2 Thiophene azo dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2017-01-31 — — US disclosed
US-20120123101-A1 Thiophene Azo Dyes and Laundry Care Compositions Containing the Same MILLIKEN & COMPANY 2012-05-17 — — US disclosed
US-20120117736-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE COMPANY, THE 2012-05-17 — — US disclosed
WO-2011017719-A2 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME MILLIKEN & COMPANY (US) 2011-02-10 — — WO disclosed
WO-2011011799-A2 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2011-01-27 — — WO disclosed
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