SCHEMBL16700646

SCHEMBL16700646

CCCCC(C)[NH+](C)C.F[B-](F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.33
OPRM1 P35372 1/20 0.32
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL6064833 0.78 TAS1R3 (0.30)
SCHEMBL1717725 0.74 DNM1 (0.39) DNM1OPRM1ALDH1A1TDP1
SCHEMBL3323657 0.74 DNM1 (0.39) DNM1OPRM1ALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL27847561 0.72 DNM1 (0.38) DNM1OPRM1ALDH1A1TDP1
SCHEMBL161505 0.71 DNM1 (0.63) DNM1OPRM1ALDH1A1TDP1
SCHEMBL3327923 0.70 DNM1 (0.36) DNM1OPRM1ALDH1A1TDP1
SCHEMBL13389674 0.70
SCHEMBL3326737 0.67 DNM1 (0.50) DNM1ALDH1A1TDP1
SCHEMBL3327253 0.67 DNM1 (0.74) DNM1OPRM1ALDH1A1TDP1
SCHEMBL3325532 0.67 DNM1 (0.74) DNM1OPRM1ALDH1A1TDP1

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 8 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
US-10227274-B2 Separations with ionic liquid solvents CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2019-03-12 US 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