Butane

Butane

SCHEMBL7928031

CCCC.CCCC1=C([Ti]c2cccc3c2Cc2ccccc2-3)CC=C1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PGR P06401 1/20 0.30

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
Butane SCHEMBL7933880 0.75 PNMT (0.39) PNMTNPC1RAB9APGR
Butane SCHEMBL7929221 0.74 PNMT (0.36) PNMTNPC1RAB9A
Butane SCHEMBL7921919 0.74 PNMT (0.36) PNMTNPC1RAB9A
SCHEMBL1819882 0.72 PNMT (0.52) PNMTNPC1RAB9APGR
SCHEMBL7928034 0.72 PNMT (0.37) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL1116208 0.71 PNMT (0.36) PNMTNPC1RAB9A
Iodide SCHEMBL7931462 0.71 PNMT (0.36) PNMTNPC1RAB9A
Iodide SCHEMBL7930583 0.71 PNMT (0.36) PNMTNPC1RAB9A
Iodide SCHEMBL7935539 0.71 PNMT (0.36) PNMTNPC1RAB9A
SCHEMBL1820056 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946610-B1 HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS EXXONMOBIL CHEM PATENTS INC (US) 2001-11-28 EP disclosed
US-6180736-B1 USING SUPPORT AND A COMPLEX FORMED BY ACTIVATING A GROUP 3, 4, 5, OR 6 METALLOCENE COMPRISING UNSUBSTITUTED (TETRAHYDRO) INDENYL LIGAND AND UNSUBSTITUTED CYCLOPENTADIENYL LIGAND; ETHYLENE POLYMERS WITH NARROW MOLECULAR WEIGHT DISTRIBUTION EXXON CHEMICAL PATENTS INC 2001-01-30 US disclosed
EP-0946610-A1 HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS EXXON CHEMICAL PATENTS INC. (US) 1999-10-06 EP disclosed
WO-1998028350-A1 HIGH ACTIVITY METALLOCENE POLYMERIZATION PROCESS EXXON CHEMICAL PATENTS INC. (US) 1998-07-02 WO disclosed