SCHEMBL5684607

SCHEMBL5684607

CCCCCCCCCCCCCCCCCCc1ccc(I)cc1I

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.53
TP53 P04637 2/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX5 P09917 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LIPG Q9Y5X9 1/20 0.42
PTGS2 P35354 3/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41

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
SCHEMBL21286980 0.92 TYR (0.50) TYRTP53CYP3A4TSHRMEN1
SCHEMBL28166338 0.86 TYR (0.50) TYRTP53CYP3A4TSHRMEN1
SCHEMBL3657714 0.85 ALOX5 (0.44) TYRTP53CYP3A4TSHRMEN1
SCHEMBL28209900 0.83 ESR1 (0.53) TYRTP53CYP3A4TSHRMEN1
SCHEMBL9850753 0.81 TYR (0.50) TYRTP53CYP3A4TSHRMEN1
SCHEMBL28726786 0.81 TYR (0.50) TYRTP53CYP3A4TSHRMEN1
SCHEMBL560620 0.81 ALOX5 (0.52) TYRTP53CYP3A4TSHRMEN1
SCHEMBL675039 0.81 ALOX5 (0.52) TYRTP53CYP3A4TSHRMEN1
SCHEMBL18243969 0.80 SLC6A4 (0.32) TYRTP53CYP3A4TSHRMEN1
SCHEMBL28096446 0.79 TYR (0.47) TYRTP53CYP3A4TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226184-B1 METHANOL EXTRACTION OF POLAR ORGANIC COMPOUNDS AND MODIFIER COMPOUNDS FROM POLY(ARYLENE SULFIDE) POLYMER AND OLIGOMER STREAMS CONOCOPHILLIPS CO (US) 2006-03-08 EP disclosed
EP-1228123-B1 A PROCESS FOR PRODUCING POLY(ARYLENE SULFIDE) CONOCOPHILLIPS CO (US) 2005-07-06 EP disclosed
EP-1242521-B1 RECOVERY OF MODIFIER COMPOUNDS AND POLAR ORGANIC COMPOUNDS FROM A POLY(ARYLENE SULFIDE) RECYCLE MIXTURE CONOCOPHILLIPS CO (US) 2004-11-03 EP disclosed
EP-1242521-A4 RECOVERY OF MODIFIER COMPOUNDS AND POLAR ORGANIC COMPOUNDS FROM A POLY(ARYLENE SULFIDE) RECYCLE MIXTURE PHILLIPS PETROLEUM CO (US) 2003-01-08 EP disclosed
EP-1226184-A4 METHANOL EXTRACTION OF POLAR ORGANIC COMPOUNDS AND MODIFIER COMPOUNDS FROM POLY(ARYLENE SULFIDE) POLYMER AND OLIGOMER STREAMS PHILLIPS PETROLEUM CO (US) 2003-01-02 EP disclosed
EP-1228123-A4 A PROCESS FOR PRODUCING POLY(ARYLENE SULFIDE) PHILLIPS PETROLEUM CO (US) 2003-01-02 EP disclosed
EP-1242521-A2 RECOVERY OF MODIFIER COMPOUNDS AND POLAR ORGANIC COMPOUNDS FROM A POLY(ARYLENE SULFIDE) RECYCLE MIXTURE Phillips Petroleum Company (US) 2002-09-25 EP disclosed
US-6437024-B1 Menthanol extraction of polar organic compounds and modifier compounds from poly(arylene sulfide) polymer and oligomer streams PHILLIPS PETROLEUM COMPANY 2002-08-20 US disclosed
EP-1228123-A1 A PROCESS FOR PRODUCING POLY(ARYLENE SULFIDE) Phillips Petroleum Company (US) 2002-08-07 EP disclosed
EP-1226184-A1 METHANOL EXTRACTION OF POLAR ORGANIC COMPOUNDS AND MODIFIER COMPOUNDS FROM POLY(ARYLENE SULFIDE) POLYMER AND OLIGOMER STREAMS Phillips Petroleum Company (US) 2002-07-31 EP disclosed
US-6331608-B1 SEPARATING POLAR ORGANIC COMPOUND AND MODIFIER FROM PRODUCT STREAM PHILLIPS PETROLEUM COMPANY 2001-12-18 US disclosed
US-6307011-B1 RECOVERING POLAR ORGANIC SOLVENT FROM RECYCLE MIXTURE PHILLIPS PETROLEUM COMPANY 2001-10-23 US disclosed
WO-2001019908-A2 RECOVERY OF MODIFIER COMPOUNDS AND POLAR ORGANIC COMPOUNDS FROM A POLY(ARYLENE SULFIDE) RECYCLE MIXTURE PHILLIPS PETROLEUM COMPANY (US) 2001-03-22 WO disclosed
WO-2001019876-A1 METHANOL EXTRACTION OF POLAR ORGANIC COMPOUNDS AND MODIFIER COMPOUNDS FROM POLY(ARYLENE SULFIDE) POLYMER AND OLIGOMER STREAMS PHILLIPS PETROLEUM COMPANY (US) 2001-03-22 WO disclosed
WO-2001019898-A1 A PROCESS FOR PRODUCING POLY(ARYLENE SULFIDE) PHILLIPS PETROLEUM COMPANY (US) 2001-03-22 WO disclosed