SCHEMBL23464367

SCHEMBL23464367

C=C(C)C(=O)OCCNCC/C=C\C(=O)OCCNCC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.40
TSHR P16473 3/20 0.39
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL23464009 0.89 ALDH1A1 (0.40) ALDH1A1THRBTSHRMAPT
SCHEMBL24439589 0.84 TSHR (0.37) ALDH1A1THRBTSHRMAPT
SCHEMBL110870 0.82 THRB (0.55) ALDH1A1THRBTSHR
SCHEMBL23450743 0.81 THRB (0.35) ALDH1A1THRBTSHR
Bromide SCHEMBL7193814 0.81 THRB (0.53) ALDH1A1THRBTSHR
Hydrochloric Acid SCHEMBL23116684 0.81 THRB (0.53) ALDH1A1THRBTSHR
SCHEMBL355084 0.79 TSHR (0.45) ALDH1A1THRBTSHR
SCHEMBL356957 0.77 THRB (0.40) ALDH1A1THRBTSHR
SCHEMBL9321905 0.77 THRB (0.55) ALDH1A1THRBTSHR
SCHEMBL13950019 0.75 THRB (0.53) ALDH1A1THRBTSHR

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
WO-2021108204-A1 AROMATIC SUBSTITUTED ETHANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2021-06-03 WO disclosed