SCHEMBL5837245

SCHEMBL5837245

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

nearest known ligand 0.36

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
TP53 P04637 1/20 0.36

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
SCHEMBL2672660 0.86 TP53 (0.38) TP53
SCHEMBL21882137 0.79
SCHEMBL4968543 0.79
SCHEMBL22659566 0.78 TP53 (0.45) TP53
SCHEMBL27750844 0.75 CA2 (0.35)
SCHEMBL7723430 0.73 TP53 (0.35) TP53
Isopropylamine SCHEMBL27687055 0.72 CA2 (0.42) TP53
SCHEMBL27943707 0.72 CA2 (0.42) TP53
SCHEMBL7791046 0.71 CA2 (0.32)
Trimethylammonium SCHEMBL348029 0.70 CA2 (0.35)

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
EP-1707239-B1 Hair cleansing composition KAO CORP (JP) 2016-05-04 EP disclosed
EP-1707239-A2 Hair cleansing composition Kao Corporation (JP) 2006-10-04 EP disclosed