SCHEMBL18430464

SCHEMBL18430464

CCN(CCOCCOCCOCCOCC[N+](CC)(CC)CCCS(=O)(=O)O)c1ccc(/N=N/c2sc([N+](=O)[O-])c(C)c2[N+](=O)[O-])c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.33

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
SCHEMBL5528645 0.91 KDR (0.38) KDR
SCHEMBL15891866 0.89 KDR (0.34) KDR
SCHEMBL18831063 0.83 POLB (0.35) —
SCHEMBL18430462 0.80 — —
SCHEMBL12936493 0.80 ALDH1A1 (0.31) —
SCHEMBL18364680 0.79 KDR (0.42) KDR
SCHEMBL18430461 0.78 — —
SCHEMBL18430541 0.78 — —
SCHEMBL12937454 0.77 S1PR1 (0.34) —
SCHEMBL18430463 0.75 — —

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 1 patent. 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
Send feedback