SCHEMBL19686005

SCHEMBL19686005

C=C(C(=O)OCC)C(=O)OC(C)(C)COC(C)(C)C(=O)C(=C)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 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
SCHEMBL19686006 0.85 ALDH1A1 (0.33) ALDH1A1MAPTTSHR
SCHEMBL19682908 0.85 CYP4F2 (0.36) ALDH1A1MAPTTSHRCYP4F2CYP4A11
SCHEMBL19686153 0.81 ALDH1A1 (0.43) ALDH1A1MAPTTSHRCYP4F2CYP4A11
SCHEMBL3864269 0.76 ALDH1A1 (0.44) ALDH1A1MAPTTSHR
SCHEMBL20705999 0.74
SCHEMBL14087033 0.73 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL21886158 0.73 CYP4F2 (0.42) ALDH1A1MAPTTSHRCYP4F2CYP4A11
SCHEMBL79588 0.73 ALDH1A1 (0.56) ALDH1A1MAPTTSHR
SCHEMBL28293945 0.73 ALDH1A1 (0.56) ALDH1A1MAPTTSHR
SCHEMBL16125671 0.72 ALDH1A1 (0.47) ALDH1A1MAPTTSHRCYP4F2CYP4A11

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
EP-3464484-B1 WATER ABSORBING OR WATER SOLUBLE POLYMERS, INTERMEDIATE COMPOUNDS, AND METHODS THEREOF SIRRUS INC (US) 2020-07-29 EP disclosed
WO-2017210057-A1 POLYMER AND OTHER COMPOUNDS FUNCTIONALIZED WITH TERMINAL 1,1-DISUBSTITUTED ALKENE MONOMER(S) AND METHODS THEREOF SIRRUS, INC. (US) 2017-12-07 WO disclosed