Butane

Butane

SCHEMBL4873910

C1=CCC([Hf]C2=CC=CC2)=C1.CCCC

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
SCHEMBL539151 0.89
Ethyl Chloride SCHEMBL9581417 0.88
Iodide SCHEMBL8155731 0.87
Bromide SCHEMBL8712554 0.87
Bromide SCHEMBL7888005 0.87
Fluoride SCHEMBL7642269 0.87
SCHEMBL4576530 0.87
Hydrochloric Acid SCHEMBL138985 0.87
Methane SCHEMBL8381074 0.87
Hydrochloric Acid SCHEMBL3907074 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332551-B2 Partially fluorinated naphthyl-based borates EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-02-19 US disclosed
US-7077977-B2 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-07-18 US disclosed
US-6909008-B2 Cocatalyst compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-06-21 US disclosed
US-20050049436-A1 Partially fluorinated naphthyl-based borates EXXONMOBIL CHEMICAL PATENTS INC. 2005-03-03 US disclosed
US-20040254065-A1 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-16 US disclosed
US-20040199021-A1 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEMICAL PATENTS INC. 2004-10-07 US disclosed
EP-1461152-A1 BULKY BORATE ACTIVATORS ExxonMobil Chemical Patents Inc. (US) 2004-09-29 EP disclosed
US-20040152591-A1 Polymerized metallocene catalyst composition EXXONMOBIL CHEMICAL PATENTS, INC. 2004-08-05 US disclosed
WO-2003049856-A1 BULKY BORATE ACTIVATORS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-06-19 WO disclosed
EP-0544304-B1 Catalyst composition for hydrogenating olefinically unsaturated polymers JAPAN SYNTHETIC RUBBER CO LTD (JP) 1998-02-04 EP disclosed
US-5270274-A Catalyst composition for hydrogenating olefinically unsaturated polymers JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1993-12-14 US disclosed
EP-0544304-A1 Catalyst composition for hydrogenating olefinically unsaturated polymers JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1993-06-02 EP disclosed
EP-0303519-B1 POLYMERIZATION OF ETHYLENE MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-03-31 EP disclosed
US-4931517-A Polymerization of ethylene MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1990-06-05 US disclosed
EP-0303519-A1 Polymerization of ethylene MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1989-02-15 EP disclosed