SCHEMBL20495665

SCHEMBL20495665

C=CC=C(CCOCC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL28374747 0.88 EPHX2 (0.35) ALDH1A1TSHRTHRB
SCHEMBL1415424 0.79 ALDH1A1 (0.36) ALDH1A1TSHRTHRB
SCHEMBL1003653 0.78 HDAC3 (0.40) ALDH1A1TSHR
SCHEMBL17061403 0.78 HDAC3 (0.40) ALDH1A1TSHR
SCHEMBL1003654 0.78 HDAC3 (0.40) ALDH1A1TSHR
SCHEMBL4278693 0.77 GRIK1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL10386720 0.77 TSHR (0.43) ALDH1A1TSHRTHRB
SCHEMBL9008292 0.77 TSHR (0.43) ALDH1A1TSHRTHRB
SCHEMBL8586760 0.75 CES1 (0.41) ALDH1A1TSHR
SCHEMBL8586757 0.75 CES1 (0.41) ALDH1A1TSHR

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-3596174-B1 LAMINATABLE INK TIGER COATINGS GMBH & CO KG (AT) 2020-09-30 EP disclosed
WO-2018167250-A1 LAMINATE INK TIGER COATINGS GMBH & CO. KG (AT) 2018-09-20 WO disclosed
EP-3375827-A1 LAMINATE INK TIGER Coatings GmbH & Co. KG (AT) 2018-09-19 EP disclosed