SCHEMBL25862013

SCHEMBL25862013

c1ccc(C2(c3ccccc3)c3cc(-c4ccc5cccc6c5c4-c4ccccc4S6)ccc3-c3ccc4ccccc4c32)cc1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMS P04818 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
SCHEMBL25856308 0.92
SCHEMBL25855938 0.92 TYMS (0.30) TYMS
SCHEMBL25861340 0.92 TYMS (0.33) TYMS
SCHEMBL25846192 0.91 TYMS (0.31) TYMS
SCHEMBL25862012 0.89 NQO2 (0.30) TYMS
SCHEMBL25846344 0.89 TYMS (0.33) TYMS
SCHEMBL25856141 0.88 TYMS (0.33) TYMS
SCHEMBL25862018 0.88 CHRNA1 (0.31)
SCHEMBL25861176 0.87 MCL1 (0.32)
SCHEMBL25862556 0.87 TYMS (0.33) TYMS

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-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed