SCHEMBL3735674

SCHEMBL3735674

CCCCCCCCOc1ccc([Mg]Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.59
LTA4H P09960 4/20 0.53
TP53 P04637 3/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 5/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 1/20 0.49
RARB P10826 3/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PLA2G4A P47712 1/20 0.46

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
SCHEMBL928036 1.00 NR5A1 (0.59) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL927208 1.00 NR5A1 (0.59) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL930242 0.98 NR5A1 (0.56) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL926603 0.94 LTA4H (0.52) NR5A1LTA4HTP53TSHRNPC1
SCHEMBL928621 0.86 LTA4H (0.50) NR5A1LTA4HNPC1RAB9AHPGD
SCHEMBL11095674 0.84 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL8936597 0.84 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL5473083 0.84 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL10943900 0.84 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B
SCHEMBL2829024 0.84 NR5A1 (0.79) NR5A1LTA4HTP53TSHRPLA2G4B

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
US-7829044-B2 Phosphonamides, process for producing the same, and use thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-11-09 US disclosed
EP-1496063-B1 EXTRACTION PROCESS FOR RARE EARTH METAL IONS USING A PHOSPHONAMIDE COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2009-08-19 EP disclosed
US-6121480-A LOW SPEED PALLADIUM-CATALYZED COUPLING OF ARYL GRIGNARD REAGENT WITH BROMOBENZONITRILE GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) 2000-09-19 US disclosed
EP-0513262-B1 3,6-DISUBSTITUTED 2-FLUOROPYRIDINES MERCK PATENT GMBH (DE) 2000-04-05 EP disclosed
EP-0883603-A1 METHOD FOR PRODUCING UNSYMMETRICALLY SUBSTITUTED BIPHENYLS Great Lakes Chemical Konstanz GmbH (DE) 1998-12-16 EP disclosed
WO-1997030970-A1 METHOD FOR PRODUCING UNSYMMETRICALLY SUBSTITUTED BIPHENYLS GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) 1997-08-28 WO disclosed
US-5389291-A Components of liquid crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0513262-A1 3,6-DISUBSTITUTED 2-HALOPYRIDINES MERCK PATENT GmbH (DE) 1992-11-19 EP disclosed
WO-1992009576-A1 3,6-DISUBSTITUTED 2-HALOPYRIDINES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1992-06-11 WO disclosed