Butane

Butane

SCHEMBL4058877

CCCC.O=P(O)(O)Cl

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
Propane SCHEMBL9461213 0.88 CA2 (0.43)
Phosphoric Acid SCHEMBL337762 0.84
Phosphoric Acid SCHEMBL17748944 0.84 FDPS (0.47)
Phosphoric Acid SCHEMBL21081718 0.84 FDPS (0.47)
Phosphoric Acid SCHEMBL15540528 0.84 FDPS (0.47)
Phosphoric Acid SCHEMBL9588189 0.84 FDPS (0.47)
Phosphoric Acid SCHEMBL10935355 0.84 FDPS (0.47)
Phosphoric Acid SCHEMBL6827845 0.84 FDPS (0.47)
Butane SCHEMBL835399 0.84
Phosphoric Acid SCHEMBL9723355 0.80 FDPS (0.45)

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
US-20090042745-A1 BIOSENSOR CHIP FUJIFILM CORPORATION (JP) 2009-02-12 US disclosed
EP-2023140-A1 Biosensor chip FUJIFILM Corporation (JP) 2009-02-11 EP disclosed
EP-0379292-B1 Production of alpha-olefin polymers MITSUBISHI CHEM CORP (JP) 1997-04-23 EP disclosed
US-5082818-A Comprising a magnesium and titanium halide, a silane, silanol or silanediol, a sulfur or phosphorus halide and a metal compound of Group 1,2 or 3 MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1992-01-21 US disclosed
EP-0379292-A2 Production of alpha-olefin polymers MITSUBISHI CHEMICAL CORPORATION (JP) 1990-07-25 EP disclosed
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed