SCHEMBL16699806

SCHEMBL16699806

CCCCCc1[nH]cc[n+]1C.O=[N+]([O-])[O-]

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KCNH2 Q12809 8/20 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
SCHEMBL8204833 0.98 GPR84 (0.37) GPR84ALDH1A1KCNH2
SCHEMBL8197951 0.98 GPR84 (0.37) GPR84ALDH1A1KCNH2
SCHEMBL3643229 0.95 ALDH1A1 (0.35) ALDH1A1
SCHEMBL2471131 0.90 KCNH2 (0.37) GPR84KCNH2
SCHEMBL16699751 0.88
SCHEMBL2229126 0.88 KCNH2 (0.40) GPR84ALDH1A1KCNH2
SCHEMBL1818170 0.88 KCNH2 (0.40) GPR84ALDH1A1KCNH2
SCHEMBL3885723 0.88 KCNH2 (0.40) GPR84ALDH1A1KCNH2
SCHEMBL4347828 0.88 KCNH2 (0.40) GPR84ALDH1A1KCNH2
SCHEMBL5300868 0.88 KCNH2 (0.40) GPR84ALDH1A1KCNH2

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