SCHEMBL16699594

SCHEMBL16699594

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHKA P35790 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FBP1 P09467 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL2863713 0.87 HTT (0.67) HTTACHECHKAMEN1KMT2A
SCHEMBL16699884 0.85 HTT (0.45) HTTACHEHSD17B10CHKAMEN1
Bromide SCHEMBL16107506 0.84 HTT (0.64) HTTACHECHKAMEN1KMT2A
Fluoride Ion SCHEMBL30330400 0.84 HTT (0.64) HTTACHECHKAMEN1KMT2A
Iodide SCHEMBL15406159 0.84 HTT (0.64) HTTACHECHKAMEN1KMT2A
SCHEMBL29252166 0.82 HTT (0.52) HTTACHECHKAMEN1KMT2A
Acetic Acid SCHEMBL30330529 0.82 HTT (0.52) HTTCHKAMEN1KMT2AMAPT
SCHEMBL10918372 0.82 HTT (0.42) HTTACHEHSD17B10CHKAMEN1
SCHEMBL30212835 0.80 HTT (0.59) HTTACHECHKAMEN1KMT2A
SCHEMBL2228281 0.80 HTT (0.50) HTTCHKAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3244987-B1 SEPARATIONS WITH IONIC LIQUID SOLVENTS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2022-06-22 EP claimed
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