SCHEMBL5881455

SCHEMBL5881455

CCCCO[Ti](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
KCNA3 P22001 1/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
ESR1 P03372 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL5881518 0.96 LTA4H (0.53) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL9149263 0.93 LTA4H (0.51) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL9150265 0.89 LTA4H (0.51) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL20513945 0.78 LTA4H (0.46) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL20513803 0.78 LTA4H (0.46) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL9062579 0.75 LTA4H (0.43) LTA4HKCNA3LMNATSHRL3MBTL1
SCHEMBL1331014 0.74 LTA4H (0.87) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL36192 0.74 LTA4H (0.87) LTA4HKCNA3MLNRNR1I2ESR1
Benzene SCHEMBL28132981 0.74 LTA4H (0.87) LTA4HKCNA3MLNRNR1I2ESR1
SCHEMBL15453813 0.73 LTA4H (0.40) LTA4HKCNA3ALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7009026-B2 Method for producing a liquid crystalline polyester and the liquid crystalline polyester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-07 US disclosed
US-6812319-B2 PREPOLYMERIZATION STEP, A CRYSTALLIZATION STEP, AND A SOLID-PHASE POLYMERIZATION STEP ARE ESSENTIAL STEPS, AND A COMPRESSION MOLDING STEP IS AN OPTIONAL STEP. TEIJIN LIMITED (JP) 2004-11-02 US disclosed
US-20040044171-A1 Method for producing a liquid crystalline polyester and the liquid crystalline polyester SUMITOMO CHEMICAL COMPANY, LIMITED 2004-03-04 US disclosed
US-20030171528-A1 Wholly aromatic polyester carbonate and process for production of same TEIJIN LIMITED 2003-09-11 US disclosed
EP-1336633-A1 AROMATIC POLYESTER CARBONATE AND METHOD FOR PRODUCTION THEREOF TEIJIN LIMITED (JP) 2003-08-20 EP disclosed
US-6596839-B2 Melt condensation polymerization of aromatic diacid and aromatic diol in presence of 4-aminopyridine compound, tin carboxylate, and titanium hydrocarboxide TEIJIN LIMITED (JP) 2003-07-22 US disclosed
US-20030027972-A1 Wholly aromatic polyester and process for producing the same TEIJIN LIMITED (JP) 2003-02-06 US disclosed
EP-1270639-A1 WHOLLY AROMATIC POLYESTER AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2003-01-02 EP disclosed