SCHEMBL9359799

SCHEMBL9359799

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

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL101343 0.77 TSHR (0.43) TSHRALDH1A1
Acetone SCHEMBL28902214 0.75 TSHR (0.42) TSHRALDH1A1
SCHEMBL2175383 0.74
SCHEMBL16086132 0.73 MGAM (0.39) TSHRALDH1A1
SCHEMBL2379857 0.67
SCHEMBL634379 0.65 TSHR (0.41) TSHRALDH1A1
SCHEMBL10358285 0.65 TSHR (0.41) TSHR
Acetone SCHEMBL6479723 0.64 LMNA (0.40) TSHRALDH1A1
SCHEMBL9349778 0.63 TSHR (0.40) TSHR
SCHEMBL11025284 0.63 TSHR (0.35) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419373-B1 Blood bag system containing vitamin E EASTMAN CHEM CO (US) 1994-11-09 EP disclosed
US-5037419-A Storage EASTMAN KODAK COMPANY (US) 1991-08-06 US disclosed
WO-1991004004-A1 BLOOD BAG SYSTEM CONTAINING VITAMIN E EASTMAN KODAK COMPANY (US) 1991-04-04 WO disclosed
EP-0419373-A1 Blood bag system containing vitamin E EASTMAN CHEMICAL COMPANY (US) 1991-03-27 EP disclosed