SCHEMBL12936493

SCHEMBL12936493

C=Nc1ccc(N(CC)CCOCCOCCOCCOCC[N+](CC)(CC)CCCS(=O)(=O)O)cc1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL12937454 0.89 S1PR1 (0.34) ALDH1A1MAPTRAB9A
SCHEMBL18430464 0.80 KDR (0.33) —
SCHEMBL18430461 0.78 — —
SCHEMBL18430462 0.78 — —
SCHEMBL18430541 0.78 — —
SCHEMBL18357956 0.74 — —
SCHEMBL18430463 0.74 — —
SCHEMBL18831063 0.73 POLB (0.35) ALDH1A1MAPT
SCHEMBL18830942 0.73 — —
SCHEMBL18831057 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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