Octane

Octane

SCHEMBL9190082

CC(C)OC(C)C.CCCCCCCC

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
THRB P10828 1/20 0.53
LMNA P02545 4/20 0.46
DNM1 Q05193 6/20 0.43
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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 SCHEMBL788860 1.00 TSHR (0.53) TSHRTHRBLMNADNM1OPRM1
Heptane SCHEMBL7498469 1.00 TSHR (0.53) TSHRTHRBLMNADNM1OPRM1
Hexane SCHEMBL295692 0.97 TSHR (0.47) TSHRTHRBLMNADNM1OPRM1
Hexane SCHEMBL5781731 0.97 TSHR (0.47) TSHRTHRBLMNADNM1OPRM1
Hexane SCHEMBL7374893 0.97 TSHR (0.47) TSHRTHRBLMNADNM1OPRM1
Pentane SCHEMBL518171 0.90 TSHR (0.50) TSHRTHRBLMNADNM1OPRM1
Hexane SCHEMBL9455882 0.88 TSHR (0.43) TSHRTHRBLMNADNM1OPRM1
Hexane SCHEMBL2125827 0.88 TSHR (0.39) TSHRTHRBLMNADNM1OPRM1
Hexane SCHEMBL9205162 0.88 TSHR (0.39) TSHRTHRBLMNAOPRM1MEN1
Hexane SCHEMBL27772646 0.88 SMN1; SMN2 (0.45) TSHRTHRBLMNAOPRM1ALDH1A1

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
US-5208387-A Two stage process for production of diisopropyl ether MOBIL OIL CORPORATION (US) 1993-05-04 US claimed
EP-0556174-B1 ETHERIFICATION PROCESS MOBIL OIL CORP (US) 1995-12-06 EP disclosed
EP-0556174-A1 ETHERIFICATION PROCESS. MOBIL OIL CORP (US) 1993-08-25 EP disclosed
US-5208387-A Two stage process for production of diisopropyl ether MOBIL OIL CORPORATION (US) 1993-05-04 US disclosed
WO-1992008683-A1 ETHERIFICATION PROCESS MOBIL OIL CORPORATION (US) 1992-05-29 WO disclosed
US-5011506-A Dewatering methanol-isopropanol feedstream with hydrocarbon, etherifying using acid catalyst MOBIL OIL CORPORATION (US) 1991-04-30 US disclosed