Heptane

Heptane

SCHEMBL10336342

CC(C)(C)O.CCCCCCC.ClC(Cl)Cl

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
FDPS P14324 9/20 0.40
GGPS1 O95749 5/20 0.39
DNM1 Q05193 1/20 0.39

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
Heptane SCHEMBL502780 0.87 TSHR (0.61) TSHRTHRBALDH1A1LMNAMEN1
Decane SCHEMBL27152672 0.87 TSHR (0.61) TSHRTHRBALDH1A1LMNAMEN1
Heptane SCHEMBL308955 0.84 TSHR (0.57) TSHRTHRBALDH1A1LMNAMEN1
Hexadecane SCHEMBL2833679 0.84 TSHR (0.67) TSHRTHRBALDH1A1LMNAMEN1
Hexane SCHEMBL7049072 0.84 TSHR (0.54) TSHRTHRBALDH1A1LMNAMEN1
Octane SCHEMBL4077297 0.84 TSHR (0.67) TSHRTHRBALDH1A1LMNAMEN1
Heptane SCHEMBL349511 0.84 TSHR (0.67) TSHRTHRBALDH1A1LMNAMEN1
Chloroform SCHEMBL28294775 0.84 TSHR (0.67) TSHRTHRBALDH1A1LMNAMEN1
Heptane SCHEMBL9777709 0.81 TSHR (0.53) TSHRTHRBALDH1A1LMNAMEN1
Heptane SCHEMBL7599758 0.81 LMNA (0.56) TSHRTHRBALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381734-A1 IMPROVED METHOD OF FORMING STABLE DISPERSIONS OF PARTICULATE MATTER. UNION CARBIDE CORP (US) 1990-08-16 EP disclosed
WO-1990000581-A1 IMPROVED METHOD OF FORMING STABLE DISPERSIONS OF PARTICULATE MATTER UNION CARBIDE CORPORATION (US) 1990-01-25 WO disclosed