Cyclohexane

Cyclohexane

SCHEMBL1936712

C1CCCCC1.C1CCCCC1.ClC(Cl)C1(C(Cl)Cl)CCCCC1

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
SCHEMBL17156268 1.00
Cyclohexane SCHEMBL3484424 1.00
SCHEMBL10907405 0.73 DPP4 (0.30)
Cyclohexane SCHEMBL3485548 0.71
SCHEMBL8146906 0.67
SCHEMBL4844648 0.67 ALDH1A1 (0.33)
SCHEMBL19810076 0.67
SCHEMBL1795836 0.64
SCHEMBL3361684 0.64
SCHEMBL9696401 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331556-B1 BISTABLE CARBAZOLE COMPOUNDS ST MICROELECTRONICS SRL (IT) 2016-11-02 EP disclosed
US-8610111-B2 Bistable carbazole compounds STMICROELECTRONICS S.R.L. (IT) 2013-12-17 US disclosed
US-20110155996-A1 BISTABLE CARBAZOLE COMPOUNDS STMICROELECTRONICS S.R.L. (IT) 2011-06-30 US disclosed
EP-2331556-A1 BISTABLE CARBAZOLE COMPOUNDS STMicroelectronics S.r.l. (IT) 2011-06-15 EP disclosed
WO-2010028836-A1 BISTABLE CARBAZOLE COMPOUNDS STMICROELECTRONICS S.R.L. (IT) 2010-03-18 WO disclosed
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed