SCHEMBL10000741

SCHEMBL10000741

C=C(C)C(=O)OCCOCC(OCCOC(=O)C(=C)C)C(OCCOC(=O)C(=C)C)C(OCCOC(=O)C(=C)C)C(COCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10447082 0.83 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL996774 0.83 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL169664 0.81 THRB (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12565606 0.81 THRB (0.46) THRBTSHR
SCHEMBL16308965 0.80 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17448864 0.79 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4644631 0.79 TSHR (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6524977 0.79 THRB (0.54) THRBTSHRALDH1A1POLBAPEX1
Ethylene SCHEMBL3377998 0.79 THRB (0.54) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL21264040 0.78 THRB (0.58) 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-8148445-B1 Ophthalmic and otorhinolaryngological device materials containing a multi-arm PEG macromer NOVARTIS AG (CH) 2012-04-03 US disclosed