SCHEMBL23399893

SCHEMBL23399893

Cc1[nH]n(C(C)C)c(=O)c1C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ ALKBH3 Q96Q83 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
SCHEMBL23402178 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL23402996 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL23401480 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL23401921 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL23399680 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL23400276 0.73 — —
SCHEMBL23400823 0.73 KDM5A (0.33) —
SCHEMBL23403419 0.71 KDM4E (0.40) ALDH1A1
SCHEMBL11615133 0.70 ALKBH3 (0.35) ALDH1A1ALKBH3
SCHEMBL23399171 0.70 NPC1 (0.37) —

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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