SCHEMBL25870632

SCHEMBL25870632

CC1(c2ccccc2)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)-c4cccc6cccc(c46)S5)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.34
PDK2 Q15119 10/20 0.34

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
SCHEMBL25844910 0.99 TYMS (0.35) TYMSPDK2
SCHEMBL25870452 0.97 PDK2 (0.33) TYMSPDK2
SCHEMBL25844732 0.93 TYMS (0.35) TYMS
SCHEMBL25862661 0.92 ALDH1A1 (0.33) TYMSPDK2
SCHEMBL25844419 0.91 TYMS (0.35) TYMSPDK2
SCHEMBL25870528 0.90 TYMS (0.33) TYMS
SCHEMBL25846815 0.89 PDK2 (0.32) TYMSPDK2
SCHEMBL25844316 0.88 TYMS (0.35) TYMS
SCHEMBL25844908 0.88 TYMS (0.35) TYMS
SCHEMBL25844903 0.88 TYMS (0.35) 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