SCHEMBL11292149

SCHEMBL11292149

CN(C)C(=O)Cl.[O-][S+](Cl)Cl

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
TSHR P16473 2/20 0.69
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
CA4 P22748 1/20 0.30

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
SCHEMBL924 0.83
SCHEMBL16836905 0.79
Hydrochloric Acid SCHEMBL8334120 0.79
Hydrochloric Acid SCHEMBL11333175 0.76
SCHEMBL11239997 0.75
SCHEMBL5444724 0.73
Acetone SCHEMBL28961744 0.72
SCHEMBL3659314 0.72
Trimethylammonium SCHEMBL28032389 0.71
Acetic Acid SCHEMBL4983402 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0027941-B1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID HALIDES BAYER AG (DE) 1982-12-08 EP disclosed
EP-0022538-B1 PROCESS FOR PREPARING NAPHTHALENESULPHOCHLORIDE BAYER AG (DE) 1982-09-15 EP disclosed
EP-0027941-A1 Process for the preparation of carboxylic acid halides BAYER AG (DE) 1981-05-06 EP disclosed
EP-0022538-A2 Process for preparing naphthalenesulphochloride BAYER AG (DE) 1981-01-21 EP disclosed