SCHEMBL28422959

SCHEMBL28422959

C=Cc1ccccc1C(CCC)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ RIPK1 Q13546 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
SCHEMBL19237098 0.86 ALDH1A1 (0.35) ALDH1A1RIPK1
SCHEMBL11406751 0.79 FFAR1 (0.42) ALDH1A1RIPK1
SCHEMBL8576823 0.77 ALDH1A1 (0.36) ALDH1A1RIPK1
SCHEMBL11811176 0.77 TSHR (0.37) ALDH1A1
SCHEMBL4953718 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL7574905 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1507340 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2063541 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5033522 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1507324 0.76 ALDH1A1 (0.35) 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
CN-108676113-B Preparation method of acid-base three-dimensional integrated yolk-shell structure micro-nano reactor 河北工业大学 2020-07-03 — — CN disclosed
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