SCHEMBL28791986

SCHEMBL28791986

C=C(C(=O)OCCCOC(=O)C(=C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
THRB P10828 1/20 0.36
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.31
NAAA Q02083 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
SCHEMBL28185686 0.93 TSHR (0.52) TSHRTHRBALDH1A1HPGDPOLB
SCHEMBL9746066 0.90 TSHR (0.53) TSHRTHRBALDH1A1HPGDTDP1
SCHEMBL9297852 0.88 TSHR (0.39) TSHRTHRBPOLBAPEX1HTT
SCHEMBL787671 0.88 TSHR (0.61) TSHRALDH1A1HPGDCYP3A4ATM
SCHEMBL28122100 0.86 TSHR (0.65) TSHRALDH1A1NAAA
SCHEMBL28328479 0.86 TSHR (0.65) TSHRALDH1A1NAAA
SCHEMBL28126298 0.86 TSHR (0.65) TSHRALDH1A1NAAA
SCHEMBL27438786 0.84 TSHR (0.42) TSHRTHRBALDH1A1HPGDTDP1
SCHEMBL22545152 0.83 THRB (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL534164 0.83 THRB (0.34) TSHRTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102010490-B Method for preparing degradable multiblock polymer UNIV ZHEJIANG 2014-04-16 CN disclosed
CN-102010490-A Method for preparing degradable multiblock polymer UNIV ZHEJIANG 2011-04-13 CN disclosed