SCHEMBL23402178

SCHEMBL23402178

Cc1c(C(C)C)[nH]n(C(C)C)c1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL23399893 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23400745 0.76 NOX4 (0.32) —
SCHEMBL23402402 0.74 — —
SCHEMBL23402668 0.74 — —
SCHEMBL23401086 0.72 — —
SCHEMBL23399293 0.72 KDM5A (0.30) —
SCHEMBL23401440 0.71 GAA (0.39) ALDH1A1
SCHEMBL23403155 0.71 SMN1; SMN2 (0.38) ALDH1A1
SCHEMBL23401921 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL23402996 0.71 ALDH1A1 (0.30) ALDH1A1

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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