SCHEMBL29088249

SCHEMBL29088249

OCCOCC1CO1.OCCOCC1CO1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.65
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 9/20 0.52
TDP1 Q9NUW8 3/20 0.52
MAPK1 P28482 2/20 0.46
PDK1 Q15118 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
HIF1A Q16665 1/20 0.33
GLA P06280 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
SCHEMBL277808 1.00
SCHEMBL7630389 0.98 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Ethylene Glycol SCHEMBL27498444 0.98 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Ethylene Glycol SCHEMBL27566316 0.98 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL4608703 0.95 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL4976681 0.95 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL8198631 0.95 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL29212545 0.95 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL8191937 0.95 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Ethylene Glycol SCHEMBL27615170 0.95 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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
CN-116813907-A Ethoxy polyimide and preparation method and application thereof 中山大学 2023-09-29 CN claimed
CN-116813907-A Ethoxy polyimide and preparation method and application thereof 中山大学 2023-09-29 CN disclosed