SCHEMBL17612005

SCHEMBL17612005

C=C(C(N)=O)C(=O)OCCCCO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ACHE P22303 6/20 0.36
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL19179671 0.98 TSHR (0.43) TSHRACHEGAAALDH1A1CYP3A4
SCHEMBL13585188 0.85 TSHR (0.41) TSHRACHETDP1
SCHEMBL18712265 0.85 TSHR (0.48) TSHRACHEGAAALDH1A1CYP3A4
SCHEMBL28143768 0.79 TSHR (0.62) TSHRACHEALDH1A1RAD52NPSR1
SCHEMBL17612015 0.78 MEN1 (0.42) TSHRALDH1A1HTT
SCHEMBL17612012 0.78 MEN1 (0.42) TSHRALDH1A1HTT
SCHEMBL28066760 0.78 ACHE (0.45) TSHRACHEGAAALDH1A1CYP3A4
SCHEMBL17973526 0.77 TSHR (0.50) TSHRACHEALDH1A1CYP3A4POLB
SCHEMBL8395128 0.77 TSHR (0.44) TSHRACHEGAAALDH1A1CYP3A4
SCHEMBL27490981 0.77 TSHR (0.39) TSHRACHEALDH1A1CYP3A4POLB

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-20170218247-A1 THERMOSETTING COMPOSITION FOR USE AS LOST CIRCULATION MATERIAL DOW GLOBAL TECHNOLOGIES LLC (US) 2017-08-03 US disclosed
WO-2016043979-A1 THERMOSETTING COMPOSITION FOR USE AS LOST CIRCULATION MATERIAL DOW GLOBAL TECHNOLOGIES LLC (US) 2016-03-24 WO disclosed