SCHEMBL7103774

SCHEMBL7103774

C=[Ti](Oc1cc(C)cc(C)c1)C1=CC=CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
Hydrochloric Acid SCHEMBL722285 0.98
SCHEMBL7878093 0.86
Hydrochloric Acid SCHEMBL716945 0.85
Hydrochloric Acid SCHEMBL720171 0.85 POLB (0.32)
SCHEMBL5087304 0.82
Hydrochloric Acid SCHEMBL716645 0.81
Hydrochloric Acid SCHEMBL721837 0.78 HTT (0.31)
Hydrochloric Acid SCHEMBL7585697 0.78
Hydrochloric Acid SCHEMBL2400515 0.75
Hydrochloric Acid SCHEMBL3674496 0.74

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-0908435-B1 Method for purifying transition metal compounds SUMITOMO CHEMICAL CO (JP) 2003-10-01 EP disclosed
US-6107502-A Method for purifying transition metal compound and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-08-22 US disclosed
EP-0908435-A1 Method for purifying transition metal compound and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-04-14 EP disclosed