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SCHEMBL10000740

SCHEMBL10000740

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.58
▸ TSHR P16473 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.35
▸ 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
SCHEMBL268440 0.93 THRB (0.66) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16488565 0.88 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18052446 0.87 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL18881183 0.87 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10089432 0.85 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14124611 0.85 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL268727 0.84 THRB (0.65) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL268299 0.84 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10608876 0.83 THRB (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11017853 0.83 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