SCHEMBL11801658

SCHEMBL11801658

O=C(C=CF)OCCOCCO

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.38
HCAR2 Q8TDS4 4/20 0.35
THRB P10828 2/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL11799799 0.89
SCHEMBL1532696 0.89 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8898381 0.89 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8648499 0.89 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11788141 0.89 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11101021 0.89 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
Methyl Alcohol SCHEMBL28310842 0.85 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
Alcohol SCHEMBL27789207 0.83 ATM (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8346317 0.82 HCAR2 (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2024307 0.82 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10

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-3935342-A POLYMERIZATION WITH AN UNSATURATED SILYL MONOMER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-27 US disclosed