Heptane

Heptane

SCHEMBL8517437

C=C(C)C.CCCCCCC

nearest known ligand 0.61

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.61
THRB P10828 1/20 0.61
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
DNM1 Q05193 4/20 0.44
CYP3A4 P08684 1/20 0.44
SLC22A1 O15245 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
Heptane SCHEMBL8697580 1.00 TSHR (0.61) TSHRTHRBLMNAALDH1A1MEN1
Octane SCHEMBL9403184 1.00 TSHR (0.61) TSHRTHRBLMNAALDH1A1MEN1
Hexane SCHEMBL7632619 0.96 TSHR (0.54) TSHRTHRBLMNAALDH1A1MEN1
Pentane SCHEMBL9570503 0.88
Hexane SCHEMBL7454865 0.85 TSHR (0.50) TSHRTHRBLMNAALDH1A1MEN1
Decane SCHEMBL23142599 0.79 TSHR (0.80) TSHRTHRBLMNAALDH1A1MEN1
Undecane SCHEMBL8719356 0.79 TSHR (0.80) TSHRTHRBLMNAALDH1A1MEN1
Heptane SCHEMBL11234776 0.79 TSHR (0.80) TSHRTHRBLMNAALDH1A1MEN1
Hexadecane SCHEMBL324236 0.79 TSHR (0.80) TSHRTHRBLMNAALDH1A1MEN1
Butane SCHEMBL1735040 0.79

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
US-20200188316-A1 TRANSDERMAL FORMULATIONS SUITABLE FOR ADMINISTRATION OF NATURAL PRODUCTS COMPRISING PLANT FLOUR AND AN ADHESIVE BENDER ROBERT (CA) 2020-06-18 US disclosed
US-10307380-B1 Composition and method for transdermal lidocaine delivery PROSOLUS, INC. (US) 2019-06-04 US disclosed
WO-2019038739-A1 TRANSDERMAL FORMULATIONS SUITABLE FOR ADMINISTRATION OF NATURAL PRODUCTS COMPRISING PLANT FLOUR AND AN ADHESIVE ZEPHYRIOUS HEALTH, INC. (CA) 2019-02-28 WO disclosed
WO-1999065856-A1 POLYMERIC-AMINE FUEL AND LUBRICANT ADDITIVE PETROKLEEN, LTD. (US) 1999-12-23 WO disclosed
CN-1142201-A Supported lewis acid catalysts for hydrocarbon covnersion reactions EXXON CHEMICAL PATENTS INC (US) 1997-02-05 CN disclosed
EP-0752914-A1 SUPPORTED LEWIS ACID CATALYSTS FOR HYDROCARBON CONVERSION REACTIONS EXXON CHEMICAL PATENTS INC. (US) 1997-01-15 EP disclosed
WO-1995026816-A1 SUPPORTED LEWIS ACID CATALYSTS FOR HYDROCARBON CONVERSION REACTIONS EXXON CHEMICAL PATENTS INC. (US) 1995-10-12 WO disclosed