Hexane

Hexane

SCHEMBL6552198

CCCCCC.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.64
ALDH1A1 P00352 3/20 0.64
THRB P10828 1/20 0.64
TDP1 Q9NUW8 1/20 0.61
LMNA P02545 3/20 0.55
SLC22A1 O15245 3/20 0.47
SLC22A2 O15244 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DNM1 Q05193 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
Hexane SCHEMBL9550487 1.00 TSHR (0.64) TSHRALDH1A1THRBTDP1LMNA
Hexane SCHEMBL7176518 1.00 TSHR (0.64) TSHRALDH1A1THRBTDP1LMNA
Hexane SCHEMBL19547603 1.00 TSHR (0.64) TSHRALDH1A1THRBTDP1LMNA
Hexane SCHEMBL571199 1.00 TSHR (0.64) TSHRALDH1A1THRBTDP1LMNA
Hexane SCHEMBL6576 1.00
Hexane SCHEMBL2818973 1.00 TSHR (0.64) TSHRALDH1A1THRBTDP1LMNA
Hexane SCHEMBL5594746 1.00 TSHR (0.64) TSHRALDH1A1THRBTDP1LMNA
Hexane SCHEMBL5543427 1.00 TSHR (0.64) TSHRALDH1A1THRBTDP1LMNA
Hexane SCHEMBL2693386 1.00 TSHR (0.64) TSHRALDH1A1THRBTDP1LMNA
Hexane SCHEMBL16897661 1.00 TSHR (0.64) TSHRALDH1A1THRBTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129115-B1 OLEFIN COPOLYMERIZATION PROCESS WITH BRIDGED HAFNOCENES EXXONMOBIL CHEM PATENTS INC (US) 2004-12-08 EP disclosed
US-6300433-B1 Olefin copolymerization process with bridged hafnocenes EXXONMOBIL CHEMICAL PATENTS INC. 2001-10-09 US disclosed
US-5474996-A Angiotension II inhibitors ROUSSEL UCLAF (FR) 1995-12-12 US disclosed
EP-0461554-B1 Compositions of refinery hydrocarbons having improved fluidity at low temperatures SIAC IT ADDITIVI CARBURANTI (IT) 1994-01-05 EP disclosed
US-5171330-A Anticloud agents; motor vehicles, aircraft engines SOCIETA' ITALIANA ADDITIVI PER CARBURANTI (IT) 1992-12-15 US disclosed
EP-0461554-A1 Compositions of refinery hydrocarbons having improved fluidity at low temperatures SOCIETA' ITALIANA ADDITIVI PER CARBURANTI S.r.l. - S.I.A.C. (IT) 1991-12-18 EP disclosed