SCHEMBL7063650

SCHEMBL7063650

CC(N)C(C)(C)C(C)(C)N.COS(=O)(=O)O.COS(=O)(=O)O

nearest known ligand 0.31

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA2 P00918 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
SCHEMBL1878667 0.80 CA1 (0.33) CA2
SCHEMBL6945178 0.78 CA2 (0.35) CA2
SCHEMBL27924038 0.78 CA2 (0.35) CA2
Isopropylamine SCHEMBL27687055 0.77 CA2 (0.42) CA2
SCHEMBL27943707 0.77 CA2 (0.42) CA2
SCHEMBL633132 0.76
SCHEMBL1878666 0.76 CA1 (0.33) CA2
SCHEMBL5394365 0.74 CA2 (0.40) CA2
SCHEMBL1229992 0.74 CA2 (0.40) CA2
Hydrochloric Acid SCHEMBL155884 0.74

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
EP-0659877-B1 Composition for the treatment of textiles CIBA SC HOLDING AG (CH) 2003-06-04 EP claimed