SCHEMBL9315355

SCHEMBL9315355

Nc1cccc(OC(F)(F)C(F)(F)Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
CYP3A4 P08684 3/20 0.48
MAOB P27338 2/20 0.47
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
TP53 P04637 1/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
APP P05067 1/20 0.38
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NLRP1 Q9C000 1/20 0.35

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
SCHEMBL2090701 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL29510672 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL6635490 0.86 KIF11 (0.35) ALDH1A1MAPTTSHRMEN1MITF
SCHEMBL1523 0.82 CYP3A4 (0.54) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL29366090 0.82 CYP3A4 (0.54) ALDH1A1CYP3A4MAOBMAPTPOLB
Hydrochloric Acid SCHEMBL27585318 0.80 POLB (0.53) ALDH1A1CYP3A4MAOBMAPTPOLB
Hydrochloric Acid SCHEMBL31174567 0.80 POLB (0.53) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL4875079 0.78 MAOB (0.43) ALDH1A1CYP3A4MAOBMAPTMAPK1
SCHEMBL2531345 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4MAOBMAPTPOLB
SCHEMBL10889608 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4MAOBMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913902-B2 Production of high energy-dense liquid hydrocarbon from low energy-dense aqueous solutions of oxygen containing organic compound(s) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2021-02-09 US claimed
US-20200056099-A1 PRODUCTION OF HIGH ENERGY-DENSE LIQUID HYDROCARBON FROM LOW ENERGY-DENSE AQUEOUS SOLUTIONS OF OXYGEN CONTAINING ORGANIC COMPOUND(S) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2020-02-20 US claimed
EP-0321546-A1 IMMUNOASSAY FOR AROMATIC RING CONTAINING COMPOUNDS PECK, Dana P. (US) 1989-06-28 EP claimed
WO-1988009798-A1 IMMUNOASSAY FOR AROMATIC RING CONTAINING COMPOUNDS PECK DANA P (US) 1988-12-15 WO claimed
US-10913902-B2 Production of high energy-dense liquid hydrocarbon from low energy-dense aqueous solutions of oxygen containing organic compound(s) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2021-02-09 US disclosed
US-20200056099-A1 PRODUCTION OF HIGH ENERGY-DENSE LIQUID HYDROCARBON FROM LOW ENERGY-DENSE AQUEOUS SOLUTIONS OF OXYGEN CONTAINING ORGANIC COMPOUND(S) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2020-02-20 US disclosed
US-20160045841-A1 NEW AND IMPROVED SYSTEM FOR PROCESSING VARIOUS CHEMICALS AND MATERIALS TRANSTAR GROUP, LTD. (CN) 2016-02-18 US disclosed
US-20160030856-A1 DISTILLATION REACTOR MODULE TRANSTAR GROUP, LLC (CN) 2016-02-04 US disclosed
EP-2969180-A2 DISTILLATION REACTOR MODULE Transtar Group, Ltd. (CN) 2016-01-20 EP disclosed
WO-2014153570-A9 NEW AND IMPROVED SYSTEM FOR PROCESSING VARIOUS CHEMICALS AND MATERIALS TRANSTAR GROUP, LTD (CN) 2015-08-06 WO disclosed
WO-2014153570-A2 NEW AND IMPROVED SYSTEM FOR PROCESSING VARIOUS CHEMICALS AND MATERIALS TRANSTAR GROUP, LTD (CN) 2014-09-25 WO disclosed
WO-2014146129-A2 DISTILLATION REACTOR MODULE TRANSTAR GROUP, LTD (CN) 2014-09-18 WO disclosed
US-5364917-A Perfluorocyclobutane ring-containing polymers THE DOW CHEMICAL COMPANY (US) 1994-11-15 US disclosed
WO-1994025505-A1 PERFLUOROCYCLOBUTANE RING-CONTAINING POLYIMIDES THE DOW CHEMICAL COMPANY (US) 1994-11-10 WO disclosed
US-5358851-A Polyclonal antibody from immunizing an animal with immunogenic carrier protein conjugated to p-tolylacetic acid, then binding product to the aromatic ring of benzene or naphthalene derivatives for detection QUANTIX SYSTEMS, L.P. (US) 1994-10-25 US disclosed
EP-0321546-A1 IMMUNOASSAY FOR AROMATIC RING CONTAINING COMPOUNDS PECK, Dana P. (US) 1989-06-28 EP disclosed
WO-1988009798-A1 IMMUNOASSAY FOR AROMATIC RING CONTAINING COMPOUNDS PECK DANA P (US) 1988-12-15 WO disclosed
US-4760705-A Rankine cycle power plant with improved organic working fluid ORMAT TURBINES LTD. (IL) 1988-08-02 US disclosed