SCHEMBL3272797

SCHEMBL3272797

C=C(C)C(=O)OCCCCC(C)C(C)(C)OC(=O)C(=C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.32

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
Urethane SCHEMBL9356096 0.90 TSHR (0.44) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11753538 0.84 TSHR (0.45) TSHR
SCHEMBL8437710 0.83 THRB (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8434847 0.83 THRB (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9768558 0.83 TSHR (0.42) TSHRTHRBALDH1A1
SCHEMBL8754872 0.82 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8435862 0.80 TSHR (0.38) TSHRTHRBPOLBAPEX1HTT
SCHEMBL22635790 0.80 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23494263 0.79 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL382201 0.79 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT

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-0694298-B1 PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME SHOFU INC (JP) 2010-06-09 EP disclosed
US-5883153-A SUSTAINED RELEASE GLASS IONOMERS SHOFU INC. (JP) 1999-03-16 US disclosed
EP-0694298-A1 PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME SHOFU INC. (JP) 1996-01-31 EP disclosed
US-5367002-A Polyalkenoic acid, elutable glass filler DENTSPLY RESEARCH & DEVELOPMENT CORP. (US) 1994-11-22 US disclosed
EP-0554890-A1 Dental composition and method DENTSPLY INTERNATIONAL, INC. (US) 1993-08-11 EP disclosed