SCHEMBL5495758

SCHEMBL5495758

C=C(C)C(=O)OOC(=O)CC(C)=O.CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+3]

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
THRB P10828 1/20 0.34

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
SCHEMBL727178 0.89 ALDH1A1 (0.48) TSHRALDH1A1MGAMGAASI
SCHEMBL2221743 0.79 THRB (0.47) TSHRALDH1A1MGAMGAASI
SCHEMBL7055259 0.75 ALDH1A1 (0.40) TSHRALDH1A1MGAMGAASI
SCHEMBL609208 0.73 MGAM (0.67) TSHRALDH1A1MGAMGAASI
SCHEMBL623936 0.72 MGAM (0.43) ALDH1A1MGAMGAASIMGAM2
Isopropyl Alcohol SCHEMBL16094105 0.71 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL2215339 0.71 ALDH1A1 (0.61) TSHRALDH1A1THRB
SCHEMBL112876 0.70 TSHR (0.42) TSHRALDH1A1MGAMGAASI
SCHEMBL11697833 0.70 MGAM (0.71) TSHRALDH1A1MGAMGAASI
SCHEMBL727177 0.70 ALDH1A1 (0.50) TSHRALDH1A1MGAMGAASI

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
US-20070208117-A1 ALUMINUM FINE PARTICLE DISPERSED FILM, COMPOSITION FOR FORMING THE SAME AND METHOD OF FORMING THE SAME JSR CORPORATION (JP) 2007-09-06 US disclosed