SCHEMBL23400050

SCHEMBL23400050

CCCc1c(C(C)(C)C)[nH]n(C)c1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.31

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
SCHEMBL23400976 0.89 KDM4E (0.35) TYMP
SCHEMBL23401969 0.85 MEN1 (0.31) —
SCHEMBL23401372 0.82 ALDH1A1 (0.32) —
SCHEMBL23400682 0.80 TYMP (0.30) TYMP
SCHEMBL23399492 0.80 KDM4E (0.31) TYMP
SCHEMBL23400620 0.80 PDE4A (0.35) —
SCHEMBL23403257 0.77 — —
SCHEMBL23401040 0.76 PDE2A (0.30) —
SCHEMBL23401208 0.75 TYMP (0.33) TYMP
SCHEMBL23403025 0.75 KDM4E (0.42) TYMP

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 — — EP disclosed
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