SCHEMBL6848035

SCHEMBL6848035

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TSHR P16473 4/20 0.34
CYP3A4 P08684 2/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 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
SCHEMBL6843989 0.85 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4TP53CYP2D6
SCHEMBL6848897 0.83 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TP53CYP2D6
SCHEMBL9577034 0.81 ALDH1A1 (0.70) ALDH1A1TSHRCYP3A4TP53CYP2D6
SCHEMBL6849169 0.79 TSHR (0.34) ALDH1A1TSHRCYP3A4TP53LMNA
SCHEMBL25755500 0.75 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4TP53CYP2D6
SCHEMBL27848264 0.75 ALDH1A1 (0.67) ALDH1A1CYP3A4TP53CYP2C19LMNA
SCHEMBL36133 0.75 ALDH1A1 (0.67) ALDH1A1CYP3A4TP53CYP2C19LMNA
SCHEMBL6935885 0.74 PDK1 (0.37) ALDH1A1TSHRCYP3A4TP53CYP2D6
SCHEMBL30487696 0.74 ALDH1A1 (0.96) ALDH1A1TSHRCYP3A4TP53CYP2D6
SCHEMBL4612527 0.74 ALDH1A1 (0.65) ALDH1A1CYP3A4TP53LMNAPOLB

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