SCHEMBL9418538

SCHEMBL9418538

CC(C)OC(C)C(OC(C)C)(OC(C)C)C(=O)[O-].CC(C)OC(C)C(OC(C)C)(OC(C)C)C(=O)[O-].CC(C)OC(C)C(OC(C)C)(OC(C)C)C(=O)[O-].CC(C)OC(C)C(OC(C)C)(OC(C)C)C(=O)[O-].[Ti+4]

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL9418602 0.78
Boric Acid SCHEMBL28428965 0.73
SCHEMBL4478417 0.70 TSHR (0.33) TSHR
SCHEMBL7108115 0.68
SCHEMBL29723420 0.67 TSHR (0.33) TSHR
SCHEMBL28515565 0.67 TSHR (0.35) TSHR
SCHEMBL2352551 0.65 TSHR (0.33) TSHR
SCHEMBL8520582 0.65 TSHR (0.33) TSHR
SCHEMBL7111299 0.64
SCHEMBL29283320 0.64 TSHR (0.31) 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
EP-0316893-B1 Condensed acetoacetic ester-titanium chelates and process for their preparation HUELS CHEMISCHE WERKE AG (DE) 1994-01-19 EP claimed