Cyclohexane

Cyclohexane

SCHEMBL28811591

C1CCCCC1.c1c[nH]cn1

nearest known ligand 0.81

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.81
▸ FKBP5 Q13451 1/20 0.81

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
Imidazole SCHEMBL27751993 0.97 ALDH1A1 (0.77) ALDH1A1FKBP5
Cyclohexane SCHEMBL28896422 0.97 ALDH1A1 (0.77) ALDH1A1FKBP5
Imidazole SCHEMBL30382963 0.90 — —
Imidazole SCHEMBL2635292 0.90 — —
Imidazole SCHEMBL19028065 0.90 ALDH1A1 (1.00) ALDH1A1FKBP5
Imidazole SCHEMBL28744226 0.90 ALDH1A1 (1.00) ALDH1A1FKBP5
Imidazole SCHEMBL1331920 0.90 — —
Imidazole SCHEMBL2684565 0.90 ALDH1A1 (1.00) ALDH1A1FKBP5
Imidazole SCHEMBL1331382 0.90 — —
Imidazole SCHEMBL897 0.90 — —

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-101889011-B Derivatives of 6,7-dihydro-5h-imidazo[1,2-a]imidazole-3- carboxylic acid amides BOEHRINGER INGELHEIM INT 2014-05-28 — — CN disclosed
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