SCHEMBL7772691

SCHEMBL7772691

[Ti]Oc1ccccc1C1=CC=CC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 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
Hydrochloric Acid SCHEMBL6363295 0.83
Hydrochloric Acid SCHEMBL4494200 0.81 PTGS2 (0.37) PTGS2
SCHEMBL3193300 0.81 PTGS2 (0.33) PTGS2
Hydrochloric Acid SCHEMBL1617991 0.80 PTGS2 (0.33) PTGS2
Hydrochloric Acid SCHEMBL1982668 0.80 PTGS2 (0.33) PTGS2
SCHEMBL28006187 0.80
SCHEMBL30626777 0.80
SCHEMBL6857249 0.77 PTGS2 (0.31) PTGS2
Hydrochloric Acid SCHEMBL3202325 0.73
Hydrochloric Acid SCHEMBL3201887 0.73 ADRA2A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001172292-A METHOD FOR PRODUCING THIO(CYCLOPENTADIENYL)(PHENOXY) TITANIUM COMPLEX SUMITOMO CHEM CO LTD 2001-06-26 JP disclosed