SCHEMBL22005686

SCHEMBL22005686

C=C(C)C(=O)OCCOC(=O)c1cc(I)cc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
SERPINE1 P05121 3/20 0.43
ESR1 P03372 8/20 0.43
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 3/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL22193461 0.94 TSHR (0.50) THRBSERPINE1ESR1POLBAPEX1
SCHEMBL10040738 0.88 THRB (0.53) THRBSERPINE1ESR1POLBAPEX1
SCHEMBL811460 0.84 TDP1 (0.48) THRBESR1POLBAPEX1HTT
SCHEMBL10725906 0.83 THRB (0.45) THRBSERPINE1ESR1POLBAPEX1
SCHEMBL15695702 0.82 THRB (0.47) THRBSERPINE1ESR1POLBAPEX1
SCHEMBL1696749 0.81 TDP1 (0.54) THRBESR1POLBAPEX1HTT
SCHEMBL12990421 0.81 SERPINE1 (0.71) SERPINE1ESR1POLBTDP1AKR1C4
SCHEMBL353837 0.81 THRB (0.46) THRBSERPINE1ESR1POLBAPEX1
SCHEMBL18869183 0.79 THRB (0.49) THRBSERPINE1ESR1POLBAPEX1
SCHEMBL6886176 0.79 THRB (0.41) THRBSERPINE1ESR1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200218149-A1 IODINE-CONTAINING POLYMERS FOR CHEMICALLY AMPLIFIED RESIST COMPOSITIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2020-07-09 US disclosed
WO-2020099190-A1 POLYMER FOR LIQUID EMBOLIC AGENTS AND METHOD OF OBTAINING SAME LVD BIOTECH S. L. (ES) 2020-05-22 WO disclosed
EP-3653656-A1 POLYMER FOR LIQUID EMBOLIC AGENTS AND METHOD OF OBTAINING SAME LVD Biotech S.L. (ES) 2020-05-20 EP disclosed