Heptane

Heptane

SCHEMBL3240570

CCCCCCC.N#CCCCCC#N

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.77
THRB P10828 1/20 0.50
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
DNM1 Q05193 4/20 0.41
PTPN7 P35236 3/20 0.39
HMGCR P04035 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Palmitonitrile SCHEMBL17183997 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL2154283 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL181303 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL11095447 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Octane SCHEMBL6002112 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL181158 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL60342 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL345850 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
Octane SCHEMBL20497305 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1
SCHEMBL61880 1.00 TSHR (0.77) TSHRTHRBALDH1A1TDP1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519057-B2 Impact modification and functionalization of copolymers of olefins and dienes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-08-27 US disclosed
US-7745544-B2 with a hydrogen peroxide oxidizing agent, in the presence of alkyl-trioxorhenium-based catalyst; useful as oil resistant, thermally stable elastomers or as structural engineering thermoplastics EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-29 US disclosed
EP-2152766-A1 IMPACT MODIFICATION AND FUNCTIONALIZATION OF COPOLYMERS OF OLEFINS AND DIENES ExxonMobil Chemical Patents Inc. (US) 2010-02-17 EP disclosed
US-7622534-B2 Epoxidation of olefin/diene copolymers using hydrogen peroxide EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-11-24 US disclosed
EP-2087013-A1 CATALYTIC EPOXIDATION AND HYDROXYLATION OF OLEFIN/DIENE COPOLYMERS ExxonMobil Chemical Patents Inc. (US) 2009-08-12 EP disclosed
WO-2008150581-A1 IMPACT MODIFICATION AND FUNCTIONALIZATION OF COPOLYMERS OF OLEFINS AND DIENES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-12-11 WO disclosed
US-20080300367-A1 Impact modification and functionalization of copolymers of olefins and dienes EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-04 US disclosed
WO-2008130435-A2 EPOXIDATION OF OLEFIN/DIENE COPOLYMERS USING HYDROGEN PEROXIDE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-10-30 WO disclosed
US-7417093-B1 Functionalization of olefin/diene copolymers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-08-26 US disclosed
WO-2008067077-A1 CATALYTIC EPOXIDATION AND HYDROXYLATION OF OLEFIN/DIENE COPOLYMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-06-05 WO disclosed
US-20080132643-A1 Epoxidation of olefin/diene copolymers using hydrogen peroxide EXXONMOBIL CHEMICAL PATENTS INC. 2008-06-05 US disclosed
US-20080132650-A1 Catalytic epoxidation and hydroxylation of olefin/diene copolymers EXXONMOBIL CHEMICAL PATENTS, INC. 2008-06-05 US disclosed
US-4410715-A Process for the epoxidation of olefins using a group V metal co-catalyst I and a phenolic hydrocarbon co-catalyst II EXXON RESEARCH & ENGINEERING CO. (US) 1983-10-18 US disclosed