SCHEMBL10774334

SCHEMBL10774334

CCOO[Ti](OC(=O)CC)(OC(=O)CC)OC(=O)CC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
NAAA Q02083 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL7930274 0.80 ALDH1A1 (0.44) ALDH1A1TDP1MGAMGAASI
SCHEMBL10774330 0.76 ALDH1A1 (0.36) ALDH1A1TDP1MGAMGAASI
SCHEMBL10776927 0.73 ALDH1A1 (0.38) ALDH1A1TDP1MGAMGAASI
SCHEMBL15655914 0.71 ALDH1A1 (0.43) ALDH1A1TDP1NAAA
SCHEMBL526692 0.71
SCHEMBL10776917 0.69 ALDH1A1 (0.44) ALDH1A1TDP1MGAMGAASI
SCHEMBL3821357 0.68
SCHEMBL445413 0.67
SCHEMBL15654449 0.67 NAAA (0.33) ALDH1A1TDP1MGAMGAASI
Butanone SCHEMBL9748937 0.66 ALDH1A1 (0.67) ALDH1A1TDP1MGAMGAASI

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