Cyclohexane

Cyclohexane

SCHEMBL8045692

C/C=C\O/C=C\C.C1CCCCC1.CO.CO

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
Cyclohexane SCHEMBL8045697 1.00
Methoxymethane SCHEMBL1477347 0.87
Ethylene Glycol SCHEMBL5611756 0.85
Cyclohexane SCHEMBL8045728 0.84
SCHEMBL714330 0.82
SCHEMBL87537 0.82
SCHEMBL8741368 0.82
SCHEMBL703453 0.82
SCHEMBL3504356 0.82
SCHEMBL5974177 0.79 CA1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002018-A2 RADIATION CURABLE COMPOSITIONS SARTOMER COMPANY INC. (US) 2000-05-24 EP claimed
US-6030703-A SUITABLE FOR FREE RADICAL, RADIATION CURABLE COATING SARTOMER COMPANY, INC. (US) 2000-02-29 US claimed
WO-1999006463-A2 RADIATION CURABLE POLYESTER COMPOSITIONS SARTOMER COMPANY, INC. (US) 1999-02-11 WO claimed
EP-1002018-A2 RADIATION CURABLE COMPOSITIONS SARTOMER COMPANY INC. (US) 2000-05-24 EP disclosed
US-6030703-A SUITABLE FOR FREE RADICAL, RADIATION CURABLE COATING SARTOMER COMPANY, INC. (US) 2000-02-29 US disclosed
WO-1999006463-A2 RADIATION CURABLE POLYESTER COMPOSITIONS SARTOMER COMPANY, INC. (US) 1999-02-11 WO disclosed