SCHEMBL8505609

SCHEMBL8505609

CC[n+]1ccccc1C.F[B-](F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 4/20 0.35
SLC19A2 O60779 1/20 0.35
USP2 O75604 1/20 0.35
CASP1 P29466 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL29822577 0.91
SCHEMBL627705 0.91
Bromide SCHEMBL29573873 0.89 NPC1 (0.63) SMN1; SMN2NPC1RAB9APOLBKMT2A
Hydrochloric Acid SCHEMBL338519 0.89 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9APOLBKMT2A
Fluoride Ion SCHEMBL9326053 0.89 RAB9A (0.57) SMN1; SMN2NPC1RAB9APOLBKMT2A
Bromide SCHEMBL636878 0.89 NPC1 (0.63) SMN1; SMN2NPC1RAB9APOLBKMT2A
Iodide SCHEMBL4316516 0.89 RAB9A (0.57) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL28512521 0.88 NPC1 (0.52) SMN1; SMN2NPC1RAB9APOLBKMT2A
Bromide SCHEMBL28752555 0.87 RAB9A (0.55) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL30330753 0.85 NPC1 (0.53) SMN1; SMN2NPC1RAB9APOLBKMT2A

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 9 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
CN-107427758-A Utilize the separation of ion liquid solvent 切弗朗菲利浦化学公司 2017-12-01 CN 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
US-5891822-A CARBONIZATION AN ORGANIC SUBSTANCE, MIXING WITH ACTIVE SUBSTANCE HONDA GIKEN KOGYO KABUSHIKI KAISHA (JP) 1999-04-06 US disclosed