SCHEMBL9706006

SCHEMBL9706006

CC(COC(=O)O)C(C)COC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4444114 0.89 TSHR (0.33) TSHRTP53ALDH1A1
SCHEMBL2730271 0.87 TP53 (0.35) TSHRTP53MAPT
SCHEMBL1127760 0.83 TSHR (0.33) TSHR
SCHEMBL292156 0.82
SCHEMBL319704 0.82 MAPT (0.39) TSHRTP53ALDH1A1MAPTCYP2D6
SCHEMBL28509449 0.81
Ammonia Solution, Strong SCHEMBL27715374 0.80
Hydrochloric Acid SCHEMBL4931059 0.80
SCHEMBL1766303 0.80
SCHEMBL320016 0.80

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-0492237-A1 Modified polyester resins, process for their preparation and toner containing these polyester resins BAYER AG (DE) 1992-07-01 EP disclosed