SCHEMBL9840663

SCHEMBL9840663

CC(C)[O-].CC(C)[O-].CC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Al+3].[Al+3].[Al+3].[Al+3]

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38

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
SCHEMBL10934747 1.00 TSHR (0.38) TSHR
SCHEMBL733468 1.00 TSHR (0.38) TSHR
SCHEMBL133259 0.96 TSHR (0.40) TSHR
SCHEMBL8041558 0.96 TSHR (0.40) TSHR
SCHEMBL6361767 0.96 TSHR (0.40) TSHR
SCHEMBL5472955 0.92 TSHR (0.47) TSHR
SCHEMBL4596586 0.92 TSHR (0.38) TSHR
Zinc Ion SCHEMBL11342778 0.88 TSHR (0.35) TSHR
SCHEMBL863596 0.87 TSHR (0.50) TSHR
SCHEMBL1552881 0.87 TSHR (0.40) 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-5057295-A Porous, three dimensional framework UOP (US) 1991-10-15 US disclosed