SCHEMBL5708449

SCHEMBL5708449

C=C(C)C(=O)OC(C)C(C)N

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.32
SLC7A5 Q01650 1/20 0.32

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
SCHEMBL5177443 0.85 TSHR (0.50) TSHRALDH1A1TDP1THRB
SCHEMBL4734217 0.85 TSHR (0.50) TSHRALDH1A1TDP1THRB
SCHEMBL22231005 0.84 TSHR (0.45) TSHRALDH1A1TDP1THRB
SCHEMBL11053273 0.81 TSHR (0.46) TSHRALDH1A1TDP1THRB
SCHEMBL8966142 0.81 TSHR (0.46) TSHRALDH1A1TDP1THRB
SCHEMBL111244 0.81
SCHEMBL3333900 0.81 SLC7A5 (0.48) TSHRALDH1A1TDP1SLC7A5
SCHEMBL3333899 0.81 SLC7A5 (0.48) TSHRALDH1A1TDP1SLC7A5
SCHEMBL28147764 0.81 SLC7A5 (0.48) TSHRALDH1A1TDP1SLC7A5
SCHEMBL3419460 0.80 TSHR (0.42) TSHRALDH1A1TDP1THRBSLC7A5

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-0927786-B1 Ink/Textile combination having improved durability DU PONT (US) 2006-11-08 EP disclosed
US-6146769-A JET INK CONTAINS AN AQUEOUS CARRIER AND A PIGMENT DISPERSION AND THE TEXTILE CONTAINS REACTIVE MOIETIES, E.G. HYDROXYL, AMINE GROUPS; AN INTERACTIVE ADDITION POLYMER IN THE TEXTILE OR INK; DURABILITY (CROCK FASTNESS), WASH/WATER FASTNESS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-11-14 US disclosed
EP-0927786-A2 Ink/Textile combination having improved durability E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-07-07 EP disclosed