SCHEMBL6909370

SCHEMBL6909370

CC(C[Al](CC(C)c1c(F)c(F)c(F)c(F)c1F)CC(C)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1ccc(C(C[Al](CC(c2ccccc2)c2ccccc2)CC(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.37
HTR2A P28223 3/20 0.35
HRH1 P35367 2/20 0.35
AOC3 Q16853 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TRPA1 O75762 2/20 0.33
RIPK1 Q13546 1/20 0.33
LMNA P02545 2/20 0.33
SLC6A4 P31645 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SMPD1 P17405 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL6905217 0.82 HPGD (0.33) TAAR1HTR2AHRH1AOC3HPGD
SCHEMBL336699 0.81
SCHEMBL336641 0.77 HTR2A (0.50) TAAR1HTR2AHRH1TSHRTDP1
SCHEMBL335496 0.75 TAAR1 (0.56) TAAR1HTR2AHRH1AOC3ALOX15
SCHEMBL5078508 0.73 POLB (0.47) TAAR1AOC3TRPA1RIPK1LMNA
SCHEMBL4379785 0.70 TAAR1 (0.50) TAAR1HTR2AHRH1AOC3ALOX15
SCHEMBL4379781 0.70 TAAR1 (0.50) TAAR1HTR2AHRH1AOC3ALOX15
SCHEMBL17452168 0.69 TRPA1 (0.41) TAAR1AOC3HPGDALOX15TSHR
SCHEMBL7699622 0.67 KMT2A (0.42) TAAR1LMNASLC6A4SLC6A2SLC6A3
SCHEMBL335892 0.63 TAAR1 (0.41) TAAR1HTR2AHRH1AOC3TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891123-B1 PROCESS FOR THE COPOLYMERIZATION OF PROPYLENE BASELL POLYOLEFINE GMBH (DE) 2018-08-29 EP disclosed
US-6703458-B2 COORDINATION CATALYSTS; SPHERICAL MORPHOLOGY BASELL POLYOLEFINE GMBH (DE) 2004-03-09 US disclosed
US-20030018146-A1 Catalyst components for the polymerization of olefins EQUISTAR CHEMICALS, LP 2003-01-23 US disclosed