SCHEMBL25217822

SCHEMBL25217822

CC(CO)CO.CC(O)CCC(C)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 4/20 0.50
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.33
THRB P10828 1/20 0.33
TRPA1 O75762 2/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL635747 0.90
1,3-Butanediol SCHEMBL1343973 0.88 TDP1 (0.50) TDP1TSHRALDH1A1LMNATHRB
SCHEMBL21404730 0.88 TSHR (0.52) TDP1TSHRALDH1A1LMNATHRB
Propylene Glycol SCHEMBL26983286 0.86 TDP1 (0.77) TDP1TSHRALDH1A1LMNATHRB
Propylene Glycol SCHEMBL29020459 0.86 TDP1 (0.77) TDP1TSHRALDH1A1LMNATHRB
SCHEMBL20756 0.82
SCHEMBL37610 0.82
SCHEMBL14503179 0.82
SCHEMBL789937 0.82
SCHEMBL2107487 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667757-B2 Polymer, composition, and polysiloxane-polyimide material thereof INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2023-06-06 US claimed