SCHEMBL12428762

SCHEMBL12428762

C=CC(=O)OC(C)(C)C(C)OC(C)(C)C

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
SCHEMBL2740738 0.81 TSHR (0.45) TSHR
SCHEMBL1887481 0.81 TSHR (0.38) TSHR
SCHEMBL16153152 0.81 TSHR (0.38) TSHR
Ethane SCHEMBL1585650 0.79 TSHR (0.43) TSHR
SCHEMBL11682529 0.79 TSHR (0.37) TSHR
Hydrochloric Acid SCHEMBL21955704 0.79 TSHR (0.37) TSHR
SCHEMBL3339185 0.78 TSHR (0.36) TSHR
SCHEMBL6928978 0.78 TSHR (0.42) TSHR
Ammonia Solution, Strong SCHEMBL1952727 0.77 TSHR (0.35) TSHR
SCHEMBL9681330 0.77 TSHR (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2230284-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2011-08-03 EP disclosed
EP-2298841-A1 Ink composition, and inkjet recording method FUJIFILM Corporation (JP) 2011-03-23 EP disclosed