SCHEMBL3630684

SCHEMBL3630684

C=C(C)C(=O)OP(=O)(OCC)OC(=O)C(=C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
THRB P10828 1/20 0.42
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARD Q03181 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4167475 0.96 TSHR (0.48) TSHRTHRBALDH1A1TP53TDP1
SCHEMBL6061683 0.94 TSHR (0.43) TSHRTHRBALDH1A1TP53TDP1
SCHEMBL2896887 0.90 TSHR (0.43) TSHRTHRBALDH1A1TP53TDP1
Trimethylammonium SCHEMBL8027821 0.90 TSHR (0.43) TSHRTHRBALDH1A1TP53TDP1
SCHEMBL29250785 0.90 TSHR (0.43) TSHRTHRBALDH1A1TP53TDP1
SCHEMBL28200633 0.86 THRB (0.40) TSHRTHRBALDH1A1PPARDCA12
SCHEMBL27728666 0.84 TSHR (0.38) TSHRTHRBALDH1A1PPARD
SCHEMBL29270400 0.83 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL27836992 0.83 THRB (0.38) TSHRTHRBALDH1A1CA12CA1
SCHEMBL418514 0.82 ALDH1A1 (0.50) TSHRTHRBALDH1A1TDP1HSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146679-B1 DENTAL COMPOSITIONS FOR COATING RESTORATIONS AND TOOTH SURFACES DENTSPLY INT INC (US) 2016-01-06 EP disclosed
EP-2146679-A2 DENTAL COMPOSITIONS FOR COATING RESTORATIONS AND TOOTH SURFACES Dentsply International Inc. (US) 2010-01-27 EP disclosed
WO-2008140800-A2 DENTAL COMPOSITIONS FOR COATING RESTORATIONS AND TOOTH SURFACES DENTSPLY INTERNATIONAL INC. (US) 2008-11-20 WO disclosed
US-7193226-B2 Scratch resistant moisture-protecting parylene layers AGFA-GEVAERT (BE) 2007-03-20 US disclosed
EP-1541333-A1 Scratch resistant moisture-protecting parylene layers Agfa-Gevaert (BE) 2005-06-15 EP disclosed
US-20050067584-A1 Scratch resistant moisture-protecting parylene layers AGFA NV (BE) 2005-03-31 US disclosed