SCHEMBL25829901

SCHEMBL25829901

C#CCOCCOCCOCCOCCOC(=O)N(CCOCCN(C)C(=O)OC(C)(C)C)CCOCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
PDK2 Q15119 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL21070882 0.91 TSHR (0.37) TSHRPDK2
SCHEMBL24965296 0.91 TSHR (0.37) TSHRPDK2
SCHEMBL29837023 0.91 TSHR (0.37) TSHRPDK2
SCHEMBL24966725 0.91 TSHR (0.37) TSHRPDK2
SCHEMBL25831188 0.89 TSHR (0.32) TSHRPDK2
SCHEMBL21070955 0.88 TSHR (0.39) TSHRPDK2CA14
SCHEMBL23085284 0.87 TSHR (0.34) TSHRPDK2
SCHEMBL24920227 0.84 CA14 (0.40) TSHRCA14
SCHEMBL25830058 0.83 CA14 (0.33) CA14
SCHEMBL22773993 0.83 TSHR (0.41) TSHRPDK2CA14

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
WO-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed