Cyclohexane

Cyclohexane

SCHEMBL5963547

C#CN.C1CCCCC1

nearest known ligand 0.00

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⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL129535 0.82
SCHEMBL4330924 0.82
SCHEMBL28334640 0.76
Cyclohexane SCHEMBL8854774 0.67 ALDH1A1 (0.32)
Cyanamide SCHEMBL11655547 0.67 ALDH1A1 (0.32)
Benzene SCHEMBL27805741 0.67
Cyclopentane SCHEMBL11654297 0.67 ALDH1A1 (0.32)
Cyclohexane SCHEMBL471857 0.67
Cyclopentane SCHEMBL11133140 0.67
Cyclopentane SCHEMBL10332214 0.60

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125840-B2 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 2006-10-24 US disclosed
EP-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP disclosed
US-20040058971-A1 Substituted dipeptides as growth hormone secretagogues ELI LILLY AND COMPANY 2004-03-25 US disclosed