SCHEMBL13719903

SCHEMBL13719903

C=CC(=O)OCC[N+](C)(CCCCCCCCCCCC)CCOC(C=C)=[N+](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.34
HCAR2 Q8TDS4 1/20 0.30
ACHE P22303 2/20 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
SCHEMBL1873359 0.90 HPGD (0.32) TSHRHPGD
SCHEMBL13719576 0.85 HTT (0.36) TSHRHPGDALDH1A1CYP3A4ACHE
SCHEMBL9893493 0.85 HTT (0.36) TSHRHPGDALDH1A1CYP3A4ACHE
SCHEMBL1875765 0.81 CHRM4 (0.33)
SCHEMBL29974376 0.81 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4THRB
Trifluoromethanesulfonic Acid SCHEMBL1875930 0.81 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL29106977 0.80 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4THRB
Trifluoromethanesulfonic Acid SCHEMBL1875929 0.79 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL1445189 0.78 CHRM5 (0.36) TSHRACHE
SCHEMBL9893609 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11111392-B2 Optical device with antistatic property 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-09-07 US disclosed
US-20180030281-A1 OPTICAL DEVICE WITH ANTISTATIC PROPERTY 3M INNOVATIVE PROPERTIES COMPANY 2018-02-01 US disclosed
EP-2493941-B1 OPTICAL DEVICE WITH ANTISTATIC PROPERTY 3M INNOVATIVE PROPERTIES CO (US) 2017-09-20 EP disclosed
US-20120288675-A1 OPTICAL DEVICE WITH ANTISTATIC PROPERTY 3M INNOVATIVE PROPERTIES COMPANY 2012-11-15 US disclosed