Butane

Butane

SCHEMBL6737294

CCCC.O=C(O)CC(=O)OC1CCCCN1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 3/20 0.35
NAAA Q02083 2/20 0.35
PRCP P42785 1/20 0.34
DHFR P00374 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL27505359 0.81 CHRM2 (0.42) SLC6A3SLC6A2SLC6A4NAAADHFR
SCHEMBL3770125 0.81 CHRM2 (0.42) SLC6A3SLC6A2SLC6A4NAAADHFR
Hydrochloric Acid SCHEMBL30940304 0.80 NAAA (0.44) SLC6A3SLC6A2SLC6A4NAAAPRCP
SCHEMBL29068676 0.80 CHRM2 (0.41) SLC6A3SLC6A2SLC6A4NAAAALDH1A1
Butane SCHEMBL11712725 0.78 NAAA (0.56) NAAAALDH1A1LMNAEPHX1
SCHEMBL9205691 0.76 NAAA (0.42) NAAAPRCPALDH1A1
Butane SCHEMBL10963745 0.76 NAAA (0.57) NAAAALDH1A1LMNAEPHX1
SCHEMBL27356886 0.75 CHRM2 (0.44) SLC6A3SLC6A2SLC6A4NAAAPRCP
SCHEMBL28357513 0.75 S1PR2 (0.41) NAAAALDH1A1EPHX1
Hydrochloric Acid SCHEMBL28003098 0.75 NAAA (0.41) NAAAPRCPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042372-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2004-07-14 EP claimed
US-20030207754-A1 Process for the polymerization of olefins MORINI GIAMPIERO (IT) 2003-11-06 US claimed
US-20030207755-A1 Heteroatom containing malonates used in catalysts for the polymerization of olefins MORINI GIAMPIERO (IT) 2003-11-06 US claimed
US-20030199388-A1 Catalysts for the polymerization of olefins EQUISTAR CHEMICALS, LP 2003-10-23 US claimed
EP-1042372-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 2000-10-11 EP claimed
WO-2000026259-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY BV (NL) 2000-05-11 WO claimed
EP-1042372-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2004-07-14 EP disclosed
US-6699814-B2 CATALYST COMPRISING PRODUCT OF REACTION BETWEEN SOLID CATALYST COMPONENT COMPRISING MAGNESIUM, TITANIUM, HALOGEN AND HETEROATOM CONTAINING MALONATE, ALKYLALUMINUM COMPOUND AND, OPTIONALLY, ONE OR MORE ELECTRON-DONOR COMPOUNDS BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-03-02 US disclosed
US-6689850-B2 Process for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2004-02-10 US disclosed
US-20030207754-A1 Process for the polymerization of olefins MORINI GIAMPIERO (IT) 2003-11-06 US disclosed
US-20030207755-A1 Heteroatom containing malonates used in catalysts for the polymerization of olefins MORINI GIAMPIERO (IT) 2003-11-06 US disclosed
US-20030199388-A1 Catalysts for the polymerization of olefins EQUISTAR CHEMICALS, LP 2003-10-23 US disclosed
EP-1042372-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 2000-10-11 EP disclosed
WO-2000026259-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY BV (NL) 2000-05-11 WO disclosed