SCHEMBL3929660

SCHEMBL3929660

C=C(C)C(=O)OCC(C)C(C)(C)N

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL716522 0.98 TSHR (0.58) TSHRTHRBALDH1A1
SCHEMBL23493794 0.85 TSHR (0.64) TSHRTHRBALDH1A1TDP1
SCHEMBL17222398 0.81 TSHR (0.64) TSHRTHRBALDH1A1TDP1
Bromide SCHEMBL21245474 0.81 TSHR (0.46) TSHRTHRBALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL716521 0.80 TSHR (0.58) TSHRTHRBALDH1A1
SCHEMBL23494172 0.80 TSHR (0.58) TSHRTHRBALDH1A1TDP1
SCHEMBL21123180 0.79 TSHR (0.62) TSHRTHRBALDH1A1TDP1
SCHEMBL237188 0.79 TSHR (0.56) TSHRTHRBALDH1A1
SCHEMBL35271 0.78 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL236331 0.76 TSHR (0.69) TSHRTHRBALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868819-A4 INK JET RECORDING MEDIUM FUJIFILM CORP (JP) 2009-03-18 EP disclosed
EP-1868819-A1 INK JET RECORDING MEDIUM FUJIFILM Corporation (JP) 2007-12-26 EP disclosed
WO-2006082712-A1 INK JET RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2006-08-10 WO disclosed