SCHEMBL6843989

SCHEMBL6843989

C=C(C)C(=O)OCC1CCCC(OC(C)C)O1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX1 P07099 1/20 0.31
THRB P10828 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 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
SCHEMBL6848035 0.85 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4TP53CYP2D6
SCHEMBL6848897 0.83 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TP53CYP2D6
SCHEMBL9577034 0.77 ALDH1A1 (0.70) ALDH1A1TSHRCYP3A4TP53CYP2D6
SCHEMBL10291469 0.77 ALDH1A1 (0.37) ALDH1A1CYP3A4TP53CYP2D6CYP2C19
SCHEMBL29016773 0.76 ALDH1A1 (0.73) ALDH1A1TSHRCYP3A4TP53CYP2D6
Isobutane SCHEMBL11145297 0.75 ALDH1A1 (0.89) ALDH1A1TSHRCYP3A4TP53CYP2D6
SCHEMBL10192153 0.73
SCHEMBL31184251 0.73 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4TP53CYP2D6
SCHEMBL15617 0.72 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4TP53CYP2D6
SCHEMBL5098171 0.72 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4TP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770417-B2 A NEGATIVE RESIST COMPOSITION COMPRISING A CONSTITUENT COMPONENT WHICH HAS A VINYL ETHER STRUCTURE PROTECTED WITH AN ACETAL IN A MOLECULE IS A FILM FORMING POLYMER SOLUBLE IN BASIC SOLUTION AND HAS AN ALKALI SOLUBLE GROUP FUJITSU LIMITED (JP) 2004-08-03 US disclosed
US-20020058197-A1 Negative resist composition, process for forming resist patterns, and process for manufacturing electron device FUJITSU LIMITED 2002-05-16 US disclosed
EP-1184723-A2 Negative resist composition, process for forming resist patterns, and process for manufacturing electronic device FUJITSU LIMITED (JP) 2002-03-06 EP disclosed