SCHEMBL5708448

SCHEMBL5708448

C=C(C)C(=O)OC(CNC)NC

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 3/20 0.38
THRB P10828 1/20 0.32
KISS1R Q969F8 2/20 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
SCHEMBL516452 0.82 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL20202281 0.82 ALDH1A1 (0.46) ALDH1A1TSHRTHRBKISS1R
SCHEMBL7164166 0.81 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
Hydrochloric Acid SCHEMBL14936083 0.81 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL12358305 0.78 TSHR (0.44) ALDH1A1TSHRTHRBKISS1R
SCHEMBL20224592 0.77 ALDH1A1 (0.41) ALDH1A1TSHRTHRBKISS1R
SCHEMBL7164413 0.77 TSHR (0.43) ALDH1A1TSHRTHRB
SCHEMBL7169811 0.74 TSHR (0.49) ALDH1A1TSHR
SCHEMBL202767 0.71 ALDH1A1 (0.48) ALDH1A1TSHRTHRB
SCHEMBL1798321 0.71 ALDH1A1 (0.43) ALDH1A1TSHRTHRB

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 5 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
CN-1205280-C Ink/textile combination having improved durability DU PONT (US) 2005-06-08 CN 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
CN-1229823-A Ink/textile combination having improved durability DU PONT (US) 1999-09-29 CN disclosed
EP-0927786-A2 Ink/Textile combination having improved durability E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-07-07 EP disclosed