SCHEMBL23398394

SCHEMBL23398394

CCCn1[nH]c(C(C)C)c(C(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
SCHEMBL23402008 0.90 PDE4A (0.35) —
SCHEMBL23398899 0.81 SMN1; SMN2 (0.35) ALDH1A1
SCHEMBL23399123 0.79 HTT (0.33) —
SCHEMBL23400970 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23399324 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23399381 0.78 — —
SCHEMBL23399890 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23403152 0.77 ALDH1A1 (0.34) ALDH1A1
SCHEMBL23400200 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL23402706 0.75 SMN1; SMN2 (0.34) 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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