SCHEMBL29757642

SCHEMBL29757642

CC(CO)C(CO)C(N)O

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.35

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
SCHEMBL503293 0.79
SCHEMBL23235087 0.79
SCHEMBL15044042 0.74 TDP1 (0.42) TDP1TSHR
SCHEMBL1614441 0.73 TSHR (0.41) TDP1TSHR
SCHEMBL7906098 0.69
SCHEMBL2773860 0.69
SCHEMBL2485669 0.69
SCHEMBL15511971 0.69
SCHEMBL2509779 0.69 TSHR (0.44) TDP1TSHR
SCHEMBL1614423 0.69 TSHR (0.37) TDP1TSHR

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
CN-112251427-B Sesquiterpene synthase IlTPS1, coding nucleotide sequence and application thereof 中国农业科学院深圳农业基因组研究所 2022-05-10 CN disclosed