Butane

Butane

SCHEMBL7921892

CC(C)=[Zr](C1=CC=CC1)c1cccc2c1Cc1ccccc1-2.CCCC

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PNMT P11086 1/20 0.37
HTR2B P41595 2/20 0.32
HTR7 P34969 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2A P08913 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL4469957 0.95 NPC1 (0.45) NPC1RAB9APNMTHTR2BHTR7
Hydrochloric Acid SCHEMBL7634665 0.94 NPC1 (0.44) NPC1RAB9APNMTHTR2BHTR7
Hydrochloric Acid SCHEMBL6302943 0.94 NPC1 (0.44) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL7040232 0.90 RAB9A (0.39) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL2807931 0.86 NPC1 (0.37) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL8065202 0.83 NPC1 (0.41) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL1081333 0.81 NPC1 (0.39) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL16239749 0.81 NPC1 (0.37) NPC1RAB9APNMTHTR2BHTR7
SCHEMBL6433465 0.81 NPC1 (0.37) NPC1RAB9APNMTHTR2BHTR7
Hydrochloric Acid SCHEMBL6908139 0.81 NPC1 (0.39) NPC1RAB9APNMTHTR2BHTR7

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