SCHEMBL11706248

SCHEMBL11706248

CCC(O)[N+](CC)(C(O)CC)C(O)CC

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41

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
SCHEMBL272420 0.76 TSHR (0.39) TSHR
Hydrochloric Acid SCHEMBL28201228 0.73 TSHR (0.37) TSHR
Hydrochloric Acid SCHEMBL11584438 0.73 TSHR (0.37) TSHR
Water SCHEMBL319988 0.73 TSHR (0.37) TSHR
Bromide SCHEMBL7214856 0.73 TSHR (0.37) TSHR
Water SCHEMBL16987408 0.73 TSHR (0.37) TSHR
SCHEMBL6834549 0.71 TSHR (0.41) TSHR
SCHEMBL98071 0.71
SCHEMBL2766443 0.71 TSHR (0.41) TSHR
Hydrochloric Acid SCHEMBL10818693 0.71 TSHR (0.41) TSHR

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-4059553-A OR HYDROXIDES OF MG, CA, CHROMIUM, MANGANESE, AND ZN AND QUATERNARY AMMONIUM SILICATES USEFUL FOR BUILDING MATERIALS KIKUSUI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1977-11-22 US claimed