Heptane

Heptane

SCHEMBL1845157

CCCCCCC.Cl[Ti](Cl)(Cl)Cl

nearest known ligand 0.67

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
THRB P10828 1/20 0.67
ALDH1A1 P00352 3/20 0.56
DNM1 Q05193 7/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC22A1 O15245 1/20 0.47
EPHX1 P07099 1/20 0.47

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
Decane SCHEMBL4321454 1.00 TSHR (0.67) TSHRTHRBALDH1A1DNM1LMNA
Hexane SCHEMBL971233 0.96 TSHR (0.58) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL6040187 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL6049145 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL198343 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL23854647 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
Tetradecane SCHEMBL23924271 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
Decane SCHEMBL23499900 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
Decane SCHEMBL2999362 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
Tetradecane SCHEMBL25387874 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1197500-B1 OLEFIN TRIBLOCK COPOLYMERS AND PRODUCTION PROCESSES THEREOF MITSUI CHEMICALS INC (JP) 2011-05-18 EP disclosed
CN-1113928-C Process for preparing flame-retarding filler/polyethylene composite material QILU PETROCHEMICAL CO SINOPEC (CN) 2003-07-09 CN disclosed
CN-1092206-C Process and catalyst for preventing reactor fouling MOBIL OIL CORP (US) 2002-10-09 CN disclosed
CN-1359970-A Process for preparing flame-retarding filler/polyethylene composite material QILU PETROCHEMICAL CO CHINA (CN) 2002-07-24 CN disclosed
CN-1169123-A Process and catalyst for preventing reactor fouling MOBIL OIL CORP (US) 1997-12-31 CN disclosed
US-4620907-A Low temperature radio-chemical energy conversion processes TEXAS GAS DEVELOPMENT CORPORATION (US) 1986-11-04 US disclosed
US-4260709-A COORDINATION CATALYST OF MAGNESIUM AND A TRANSITION METAL NAPHTHACHIMIE (FR) 1981-04-07 US disclosed