SCHEMBL9400464

SCHEMBL9400464

C=CC(=O)NC(CC)[N+](C)(C)C.CCOS(=O)(=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ACACB O00763 2/20 0.34

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
SCHEMBL17105898 0.89 TSHR (0.33) TSHRACACB
SCHEMBL5187371 0.89 TSHR (0.37) TSHRACACB
Sulfuric Acid SCHEMBL17105886 0.87 TSHR (0.40) TSHRACACB
SCHEMBL309296 0.83 TSHR (0.48) TSHRACACB
Iodide SCHEMBL3132818 0.82 TSHR (0.47) TSHRACACB
Fluoride Ion SCHEMBL17105891 0.82 TSHR (0.47) TSHRACACB
Hydrochloric Acid SCHEMBL127416 0.82 TSHR (0.47) TSHRACACB
Water SCHEMBL2355005 0.82 TSHR (0.47) TSHRACACB
Bromide SCHEMBL17105893 0.82 TSHR (0.47) TSHRACACB
Hydrochloric Acid SCHEMBL26669427 0.82 TSHR (0.47) TSHRACACB

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-5292800-A Epichlorohydrin, alcohol, polyol, alkoxylation BASF AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed