Heptane

Heptane

SCHEMBL6918100

CC(C)CCO.CCCCCCC

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.50
OPRM1 P35372 1/20 0.48
SPHK1 Q9NYA1 2/20 0.44
THRB P10828 2/20 0.44
DNM1 Q05193 3/20 0.43
TP53 P04637 2/20 0.43
CYP2D6 P10635 2/20 0.41
HTT P42858 2/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
3-Methylbutanol SCHEMBL2815147 0.97 SMN1; SMN2 (0.53) LMNAALDH1A1TSHRMEN1KMT2A
1-Hexanol SCHEMBL5665303 0.95 LMNA (0.65) LMNAALDH1A1TSHRMEN1KMT2A
1-Hexanol SCHEMBL11567395 0.95 LMNA (0.65) LMNAALDH1A1TSHRMEN1KMT2A
Cetostearyl Alcohol SCHEMBL27309095 0.95 LMNA (0.65) LMNAALDH1A1TSHRMEN1KMT2A
3-Methylbutanol SCHEMBL28101626 0.92 SMN1; SMN2 (0.48) LMNAALDH1A1TSHRMEN1KMT2A
3-Methylbutanol SCHEMBL2354231 0.92 SMN1; SMN2 (0.63) LMNAALDH1A1TSHRMEN1KMT2A
Octanol SCHEMBL27781403 0.91 LMNA (0.59) LMNAALDH1A1TSHRMEN1KMT2A
3-Methylbutanol SCHEMBL28244429 0.90 SMN1; SMN2 (0.46) LMNAALDH1A1TSHRMEN1KMT2A
3-Methylbutanol SCHEMBL2558666 0.89 ALDH1A1 (0.61) LMNAALDH1A1TSHRMEN1KMT2A
2-Heptanol SCHEMBL29044242 0.85 OPRM1 (0.46) LMNAALDH1A1TSHRMEN1KMT2A

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
CN-112305135-B Thilidazine detection method 北京和合医学诊断技术股份有限公司 2022-08-12 CN disclosed
CN-112305135-A Thilidazine detection method 北京和合医学诊断技术股份有限公司 2021-02-02 CN disclosed
EP-0629132-B1 PURIFIED VACUOLATING TOXIN FROM HELICOBACTER PYLORI AND METHODS TO USE SAME UNIV VANDERBILT (US) 2004-08-11 EP disclosed
EP-0641440-B1 REAGENTS AND METHODS FOR THE QUANTIFICATION OF TOTAL DOXEPINS IN BIOLOGICAL FLUIDS ABBOTT LAB (US) 2000-11-08 EP disclosed
US-5859219-A ISOLATED NUCLEOTIDE SEQUENCES USED FOR DETECTION OF INFECTION AS PRIMERS FOR AMPLIFICATION AND PROBES FOR HYBRIDIZATION; ANTIULCER AGENTS; ANTICANCER AGENTS VANDERBILT UNIVERSITY (US) 1999-01-12 US disclosed
EP-0629132-A4 PURIFIED VACUOLATING TOXIN FROM -i(HELICOBACTER) PYLORI AND METHODS TO USE SAME. UNIV VANDERBILT (US) 1997-02-26 EP disclosed
EP-0641440-A4 REAGENTS AND METHODS FOR THE QUANTIFICATION OF TOTAL DOXEPINS IN BIOLOGICAL FLUIDS. ABBOTT LAB (US) 1996-04-10 EP disclosed
US-5464767-A Reagents and methods for the quantification of total doxepins in biological fluids ABBOTT LABORATORIES (US) 1995-11-07 US disclosed
EP-0641440-A1 REAGENTS AND METHODS FOR THE QUANTIFICATION OF TOTAL DOXEPINS IN BIOLOGICAL FLUIDS ABBOTT LABORATORIES (US) 1995-03-08 EP disclosed
EP-0629132-A1 PURIFIED VACUOLATING TOXIN FROM $i(HELICOBACTER) PYLORI AND METHODS TO USE SAME VANDERBILT UNIVERSITY (US) 1994-12-21 EP disclosed
US-5332661-A Reagents and methods for the quantification of total doxepins in biological fluids ABBOTT LABORATORIES (US) 1994-07-26 US disclosed
WO-1993016723-A1 PURIFIED VACUOLATING TOXIN FROM HELICOBACTER PYLORI AND METHODS TO USE SAME VANDERBILT UNIVERSITY (US) 1993-09-02 WO disclosed
WO-1993003372-A1 REAGENTS AND METHODS FOR THE QUANTIFICATION OF TOTAL DOXEPINS IN BIOLOGICAL FLUIDS ABBOTT LABORATORIES (US) 1993-02-18 WO disclosed