Cyclohexane

Cyclohexane

SCHEMBL29153241

C1CCCCC1.CC1CCCC(C)C1N=C=O

nearest known ligand 0.46

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6652569 0.98 ALDH1A1 (0.42) ALDH1A1
SCHEMBL8021342 0.98 ALDH1A1 (0.42) ALDH1A1
SCHEMBL11426532 0.87 ALDH1A1 (0.40) ALDH1A1
SCHEMBL48400 0.85 ALDH1A1 (0.37) ALDH1A1
SCHEMBL20484233 0.82 ALDH1A1 (0.40) ALDH1A1
SCHEMBL11422745 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29124327 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL330951 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL13311938 0.74 ALDH1A1 (0.50) ALDH1A1
SCHEMBL8007238 0.73 ALDH1A1 (0.32) 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-117500782-A Process for preparing at least one polyisocyanate 巴斯夫欧洲公司 2024-02-02 CN disclosed