SCHEMBL7096850

SCHEMBL7096850

CCCCC(F)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
CA2 P00918 4/20 0.44
CA1 P00915 2/20 0.44
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CES2 O00748 1/20 0.38
ACHE P22303 2/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CPB2 Q96IY4 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11867305 0.94 MAPT (0.59) MAPTCA2CA1CES2ZDHHC7
SCHEMBL31190396 0.92 MAPT (0.62) MAPTCA2CES2ZDHHC7CPB2
SCHEMBL31167494 0.92 MAPT (0.62) MAPTCA2CES2ZDHHC7CPB2
SCHEMBL31475548 0.92 MAPT (0.62) MAPTCA2CES2ZDHHC7CPB2
SCHEMBL7469525 0.92 MAPT (0.62) MAPTCA2CES2ZDHHC7CPB2
SCHEMBL27918416 0.87 MAPT (0.41) MAPTTDP1ALDH1A1ACHELMNA
SCHEMBL11531078 0.86 ALDH1A1 (0.42) MAPTTSHRCYP3A4TDP1ALDH1A1
SCHEMBL27869708 0.85 CPB2 (0.40) MAPTTDP1ALDH1A1LMNAHSD17B10
SCHEMBL5749106 0.84 MAPT (0.52) MAPTCA2CA1TSHRCYP3A4
Hydrochloric Acid SCHEMBL27885999 0.83 CPB2 (0.39) MAPTTDP1ALDH1A1LMNAHSD17B10

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038861-B1 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES (JP) 2003-09-03 EP disclosed
US-6593488-B1 Reacting 2-fluorocarboxylate with carboxylate UBE INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed
EP-0817773-B1 PYRIMIDINE COMPOUNDS QINETIQ LTD (GB) 2002-06-12 EP disclosed
EP-1038861-A1 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES LIMITED (JP) 2000-09-27 EP disclosed
US-6121448-A LIQUID CRYSTALLINE COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITTANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2000-09-19 US disclosed
US-5986096-A REACTION OF HYDROGEN IODIDE WITH CHLORO-5-BROMOPYRIMIDINE THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S A GOVERNMENT OF THE U.K. OF GT. BRITAIN & N. IRELAND OF DEFENCE EVALUATION & RESEARCH AGENCY (GB) 1999-11-16 US disclosed
WO-1996030344-A9 PYRIMIDINE COMPOUNDS 1999-02-11 WO disclosed
EP-0817773-A2 PYRIMIDINE COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1998-01-14 EP disclosed
WO-1996030344-A2 PYRIMIDINE COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1996-10-03 WO disclosed
US-4410720-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1983-10-18 US disclosed
US-4059576-A CARDIOVASCULAR, OXYTOCICS HOFFMANN-LA ROCHE, INC. (US) 1977-11-22 US disclosed
US-4052446-A OXYTOCICS, CARDIOVASCULAR AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-10-04 US disclosed
US-4036871-A CARDIOVASCULAR AGENTS, LABOR INDUCERS, ABORTION HOFFMANN-LA ROCHE INC. (US) 1977-07-19 US disclosed
US-3969379-A 13,14-Dihydro-16-fluoro prostaglandin A1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969380-A 16-Fluoro prostaglandin F2 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969381-A 13,14-Dihydro-16-fluoro prostaglandin B1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969378-A 16-Fluoro prostaglandin A2 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969377-A 16-Fluoro prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969376-A 13,14-Dihydro-16-fluoro prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3962293-A 13,14-Dihydro-16-fluoro prostaglandin F1 THE UPJOHN COMPANY (US) 1976-06-08 US disclosed