SCHEMBL10779907

SCHEMBL10779907

CC(=O)O[Ti](Cl)(Cl)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 3/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA4 P22748 2/20 0.32

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
SCHEMBL720574 0.80
SCHEMBL10777557 0.80 ALDH1A1 (0.39) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL727781 0.78
SCHEMBL3932362 0.72 ALDH1A1 (0.44) ALDH1A1TSHRLMNAHSD17B10TDP1
Acetic Acid Methyl Ester SCHEMBL11153281 0.69 ALDH1A1 (0.71) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL7927289 0.69
SCHEMBL10774406 0.69 ALDH1A1 (0.41) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL11853977 0.67 ALDH1A1 (0.39) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL10777448 0.67
Acetone SCHEMBL6479723 0.67 LMNA (0.40) ALDH1A1TSHRLMNAHSD17B10TDP1

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
EP-0240952-A2 A method for producing a flaky material SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed