SCHEMBL23401409

SCHEMBL23401409

CCCn1[nH]c(CC(C)C)c(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ DAO P14920 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
SCHEMBL23403305 0.90 PDE4A (0.35) —
SCHEMBL23399300 0.86 — —
SCHEMBL23399548 0.83 HTT (0.35) HTTALDH1A1DAO
SCHEMBL23400088 0.82 SMN1; SMN2 (0.36) HTTALDH1A1
SCHEMBL23400523 0.82 ALDH1A1 (0.35) ALDH1A1
SCHEMBL23398389 0.81 HTT (0.34) HTTALDH1A1DAO
SCHEMBL23401658 0.81 KDM4E (0.32) HTTALDH1A1
SCHEMBL23399090 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL23399211 0.80 HTT (0.36) HTTALDH1A1
SCHEMBL23403430 0.78 DAO (0.31) DAO

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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