SCHEMBL13192524

SCHEMBL13192524

C=C(C)C(=O)OC(CC)CC1OC1C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 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
SCHEMBL440616 0.78 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL4241788 0.77 ALDH1A1 (0.51) TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL27784925 0.77 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL13793711 0.75 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL4952130 0.75 ALDH1A1 (0.41) TSHRALDH1A1THRB
Methylamine SCHEMBL27627991 0.75 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL27818473 0.73 TSHR (0.35) TSHRALDH1A1THRB
SCHEMBL159608 0.73 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL4108307 0.73 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL15751384 0.73 TSHR (0.41) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2223910-B1 OXIME ESTERS AND PHOTOPOLYMERIZATION INITIATORS CONTAINING THE SAME ADEKA CORP (JP) 2012-11-07 EP disclosed
EP-2223910-A1 OXIME ESTERS AND PHOTOPOLYMERIZATION INITIATORS CONTAINING THE SAME Adeka Corporation (JP) 2010-09-01 EP disclosed
EP-2145880-A1 NOVEL EPOXY COMPOUND, ALKALI-DEVELOPABLE RESIN COMPOSITION, AND ALKALI-DEVELOPABLE PHOTOSENSITIVE RESIN COMPOSITION Adeka Corporation (JP) 2010-01-20 EP disclosed
EP-1780209-A1 OXIME ESTER COMPOUND AND PHOTOPOLYMERIZATION INITIATOR CONTAINING SUCH COMPOUND Adeka Corporation (JP) 2007-05-02 EP disclosed