Cyclohexane

Cyclohexane

SCHEMBL28947641

C1CCCCC1.CN=C=O.CN=C=O.CN=C=O

nearest known ligand 0.75

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
CASP1 P29466 1/20 0.75
ALDH1A1 P00352 2/20 0.38

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 SCHEMBL3761116 1.00 TSHR (0.75) TSHRCASP1ALDH1A1
Cyclopropane SCHEMBL28687940 1.00
Cyclohexane SCHEMBL1930585 1.00 TSHR (0.75) TSHRCASP1ALDH1A1
Cyclohexane SCHEMBL29019615 0.89 TSHR (0.60) TSHRCASP1ALDH1A1
Cyclohexane SCHEMBL28402579 0.89 TSHR (0.60) TSHRCASP1ALDH1A1
Cyclohexane SCHEMBL27772263 0.89 TSHR (0.60) TSHRCASP1ALDH1A1
SCHEMBL28124906 0.87
SCHEMBL2765 0.87
Cyclohexane SCHEMBL6748666 0.87 TSHR (0.56) TSHRCASP1ALDH1A1
Cyclohexane SCHEMBL28977553 0.87 TSHR (0.56) TSHRCASP1ALDH1A1

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
CN-103959137-A Method for manufacturing plastic lens HOYA CORP 2014-07-30 CN disclosed
CN-103858024-A Plastic lens HOYA CORP 2014-06-11 CN disclosed