SCHEMBL5068871

SCHEMBL5068871

C=C(C)C(=O)OC(CC)OC(=O)C(=C)C.[CaH2]

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL601418 0.98 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL9162961 0.95 TSHR (0.43) TSHRALDH1A1THRBTDP1
Methacrylic Acid SCHEMBL6545289 0.91 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL8968857 0.91 TSHR (0.41) TSHRALDH1A1THRBTDP1
SCHEMBL9155891 0.90 ALDH1A1 (0.43) TSHRALDH1A1THRB
SCHEMBL3624164 0.90 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL28528795 0.89 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL8982546 0.88 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL9148733 0.88 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL27566896 0.88 TSHR (0.38) TSHRALDH1A1THRB

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
EP-1928979-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS Rolic AG (CH) 2008-06-11 EP disclosed
WO-2007033506-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2007-03-29 WO disclosed