SCHEMBL22490944

SCHEMBL22490944

C=CC(=O)NC(C)(C)CS(=O)(=O)O.C=CC(=O)OCCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 6/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL31388415 0.86 TSHR (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL27965376 0.85 TSHR (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL11041151 0.85 TSHR (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Methacrylic Acid SCHEMBL27702048 0.83 TSHR (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Acrylic Acid Methyl Ester SCHEMBL8758796 0.82 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Acrylic Acid SCHEMBL11116099 0.82 TSHR (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL19490 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL28723020 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Acrylic Acid SCHEMBL859839 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Iodide SCHEMBL7702886 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR

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
US-11708505-B2 Aqueous polyurethane resin dispersion AGFA NV (BE) 2023-07-25 US disclosed
US-20200369881-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AGFA NV (BE) 2020-11-26 US disclosed
US-20200369903-A1 LIQUID SET FOR INK JET RECORDING AGFA NV (BE) 2020-11-26 US disclosed
EP-3717539-A1 LIQUID SET FOR INK JET RECORDING AGFA NV (BE) 2020-10-07 EP disclosed
EP-3717536-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AGFA NV (BE) 2020-10-07 EP disclosed