SCHEMBL8520582

SCHEMBL8520582

CC(=O)C(OC(C)C)(OC(C)C)C(=O)[O-].CC(=O)C(OC(C)C)(OC(C)C)C(=O)[O-].CC(=O)C(OC(C)C)(OC(C)C)C(=O)[O-].[Ga+3]

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
CA1 P00915 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
SCHEMBL4478417 0.95 TSHR (0.33) TSHRCA1
SCHEMBL2352551 0.95 TSHR (0.33) TSHRCA1
SCHEMBL9064424 0.80 TSHR (0.39) TSHR
SCHEMBL27702221 0.80 TSHR (0.39) TSHR
SCHEMBL2780515 0.78 TSHR (0.31) TSHR
SCHEMBL28677726 0.76 TSHR (0.36) TSHR
SCHEMBL8520581 0.74 TSHR (0.35) TSHR
SCHEMBL28515565 0.74 TSHR (0.35) TSHRCA1
SCHEMBL7645399 0.74 TSHR (0.35) TSHR
SCHEMBL29163003 0.74 CA4 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001284-A Organoelectroluminescence device material and organoelectroluminescence device for which the material is adapted TOYO INK MANUFACTURING CO., LTD. (JP) 1999-12-14 US disclosed
EP-0757088-A2 Organoelectroluminescence device material and organoelectroluminescence device for which the material is adapted TOYO INK MANUFACTURING CO., LTD. (JP) 1997-02-05 EP disclosed