SCHEMBL5481448

SCHEMBL5481448

CC(C)O[Ti]OC(C)C.CCC(CC)C(=O)OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 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
SCHEMBL3182682 0.84 ALDH1A1 (0.45) ALDH1A1TSHRLMNAHSD17B10CA1
SCHEMBL20482049 0.82 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHSD17B10CA1
SCHEMBL20482067 0.82 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHSD17B10CA1
SCHEMBL5491412 0.82 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHSD17B10CA1
SCHEMBL451229 0.80 TSHR (0.53) ALDH1A1TSHRHSD17B10
SCHEMBL22557968 0.76 CA2 (0.48) TSHRCA1CA2
Ethyl Acetate SCHEMBL2531892 0.76 ALDH1A1 (0.61) ALDH1A1TSHRLMNAHSD17B10
SCHEMBL10653354 0.74 ALDH1A1 (0.39) ALDH1A1TSHRLMNAHSD17B10CA1
Propionic Acid SCHEMBL7105059 0.73 FFAR3 (0.50) ALDH1A1TSHRLMNA
SCHEMBL21066653 0.73 ALDH1A1 (0.39) ALDH1A1TSHRLMNAHSD17B10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070059650-A1 Developing solution for photosensitive composition and method for forming patterned resist film NAGAHARA TATSUSRO 2007-03-15 US disclosed
EP-1650605-A1 DEVELOPING SOLUTION FOR PHOTOSENSITIVE COMPOSITION AND METHOD FOR FORMING PATTERNED RESIST FILM AZ Electronic Materials USA Corp. (US) 2006-04-26 EP disclosed