SCHEMBL16699884

SCHEMBL16699884

CC[n+]1ccc(C)cc1.O=[N+]([O-])[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
ACHE P22303 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CHKA P35790 1/20 0.39
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FBP1 P09467 1/20 0.35
TSHR P16473 3/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
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
SCHEMBL62492 0.86
SCHEMBL16699594 0.85 HTT (0.53) HTTACHEHSD17B10CHKALMNA
Fluoride Ion SCHEMBL1502900 0.84 HTT (0.54) HTTACHECHKALMNAMEN1
Iodide SCHEMBL1502806 0.84 HTT (0.54) HTTACHECHKALMNAMEN1
Water SCHEMBL2149413 0.84 HTT (0.54) HTTACHECHKALMNAMEN1
Hydrochloric Acid SCHEMBL1502838 0.84 HTT (0.54) HTTACHECHKALMNAMEN1
Bromide SCHEMBL1502745 0.84 HTT (0.54) HTTACHECHKAMEN1KMT2A
Acetic Acid SCHEMBL29252868 0.81 HTT (0.44) HTTCHKALMNAL3MBTL1MEN1
SCHEMBL29251851 0.81 HTT (0.44) HTTACHECHKALMNACYP3A4
Sulfuric Acid SCHEMBL21195058 0.81 HTT (0.44) HTTACHECHKALMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3244987-A1 SEPARATIONS WITH IONIC LIQUID SOLVENTS Chevron Phillips Chemical Company LP (US) 2017-11-22 EP claimed
US-20150133711-A1 Separations With Ionic Liquid Solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP 2015-05-14 US claimed
EP-3244987-B1 SEPARATIONS WITH IONIC LIQUID SOLVENTS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2022-06-22 EP disclosed
US-10227274-B2 Separations with ionic liquid solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2019-03-12 US disclosed
EP-3244987-A1 SEPARATIONS WITH IONIC LIQUID SOLVENTS Chevron Phillips Chemical Company LP (US) 2017-11-22 EP disclosed
US-20150133711-A1 Separations With Ionic Liquid Solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP 2015-05-14 US disclosed