SCHEMBL8633458

SCHEMBL8633458

C=C(C)C(=O)OCC(O)(C1CCCC1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.38
EPHX1 P07099 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 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
SCHEMBL8850642 0.86 ALDH1A1 (0.43) ALDH1A1TSHRTHRBEPHX1TP53
SCHEMBL8852741 0.84 ALDH1A1 (0.42) ALDH1A1TSHRTHRBEPHX1TP53
SCHEMBL8850850 0.84 ALDH1A1 (0.42) ALDH1A1TSHRTHRBEPHX1TP53
SCHEMBL8851393 0.83 ALDH1A1 (0.41) ALDH1A1TSHRTHRBEPHX1TP53
SCHEMBL8850545 0.81 ALDH1A1 (0.40) ALDH1A1TSHRTHRBEPHX1TP53
SCHEMBL5835236 0.81 ALDH1A1 (0.40) ALDH1A1TSHRTHRBEPHX1TP53
SCHEMBL8850714 0.80 TSHR (0.43) ALDH1A1TSHRTHRBEPHX1
SCHEMBL8850558 0.80 ALDH1A1 (0.39) ALDH1A1TSHRTHRBEPHX1
SCHEMBL8850660 0.79 TSHR (0.42) ALDH1A1TSHRTHRBEPHX1
SCHEMBL8850581 0.79 TSHR (0.39) ALDH1A1TSHRTHRBEPHX1

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-5824716-A ULTRAVIOLET RADIATION CURABLE AQUEOUS LATEX OF PHOTOINITIATOR AND DICYCLOPENTENYLOXYETHYL METHACRYLATE COPOLYMER; COALESCING, CROSSLINKING; PAINTS, LACQUERS ELF ATOCHEM S.A. (FR) 1998-10-20 US disclosed
EP-0740691-B1 PHOTOCURABLE FILM-FORMING ACRYLIC LATICES ATOCHEM ELF SA (FR) 1998-07-15 EP disclosed
CN-1142242-A Photocurable film-forming acrylic-acid latices ATOCHEM ELF SA (FR) 1997-02-05 CN disclosed
EP-0740691-A1 PHOTOCURABLE FILM-FORMING ACRYLIC LATICES ELF ATOCHEM S.A. (FR) 1996-11-06 EP disclosed
WO-1995020016-A1 PHOTOCURABLE FILM-FORMING ACRYLIC LATICES ELF ATOCHEM S.A. (FR) 1995-07-27 WO disclosed