SCHEMBL20202301

SCHEMBL20202301

C=C(C)C(=O)OCCOC(=O)C(C)(COC)COC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL25701623 0.85 TSHR (0.32) TSHRPOLB
SCHEMBL13562453 0.82 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10040892 0.81 TSHR (0.46) THRBTSHRALDH1A1
SCHEMBL3685685 0.80 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11106417 0.80 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20202308 0.78 THRB (0.40) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27357 0.77 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13756630 0.77 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
Methoxymethane SCHEMBL18258574 0.77 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15636 0.77 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180149975-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-05-31 US disclosed