SCHEMBL21999396

SCHEMBL21999396

C=CC(=O)OCCCC(C)(C)OCCC(C)(C)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 2/20 0.46
THRB P10828 2/20 0.40
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.32
ATM Q13315 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
SCHEMBL8465752 0.93 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL22198349 0.85 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL10067025 0.83 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL19291834 0.83 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL8965481 0.83 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL19806252 0.80 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL20930887 0.80 TSHR (0.38) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL15495149 0.80 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL22418021 0.79 ALDH1A1 (0.43) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL22926219 0.79 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4THRB

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-11180601-B2 Polyurethane dispersions HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2021-11-23 US disclosed
US-20200148806-A1 POLYURETHANE DISPERSIONS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2020-05-14 US disclosed