Cyclohexane

Cyclohexane

SCHEMBL9716720

C1CCCCC1.C1CCCCC1.O=C=NCCN=C=O

nearest known ligand 0.35

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35

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
Cyclohexane SCHEMBL3255687 1.00 ALDH1A1 (0.35) ALDH1A1
Cyclohexane SCHEMBL28930133 0.91 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28444 0.89
Water SCHEMBL28134902 0.85
Ammonia Solution, Strong SCHEMBL8329103 0.85 TSHR (0.31)
Cyclohexane SCHEMBL28240622 0.84 NAAA (0.33) ALDH1A1
Cyclopropane SCHEMBL5611392 0.84 NAAA (0.33) ALDH1A1
Biphenyl SCHEMBL17459186 0.84 ALDH1A1 (0.42) ALDH1A1
SCHEMBL28115519 0.84
Cyclohexane SCHEMBL28689952 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462204-A4 FREE-RADICAL CURABLE COMPOSITIONS 1992-02-19 EP disclosed
EP-0462204-A1 FREE-RADICAL CURABLE COMPOSITIONS DSM N.V. (NL) 1991-12-27 EP disclosed