Hexane

Hexane

SCHEMBL11755954

CC(C)CO[PH2]=O.CCCCCC

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 7/20 0.35
▸ MAPT P10636 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ DNM1 Q05193 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL10953174 0.87 — —
SCHEMBL8935001 0.85 — —
Methane SCHEMBL11671765 0.85 — —
SCHEMBL681190 0.72 — —
SCHEMBL2231655 0.71 CYP3A4 (0.55) LMNATSHRALDH1A1
Pentadecane SCHEMBL11673241 0.70 CA1 (0.43) TSHRTHRB
Octane SCHEMBL10703294 0.70 CA1 (0.43) TSHRTHRB
SCHEMBL4443799 0.70 CA1 (0.43) TSHRTHRB
SCHEMBL1229752 0.70 CA1 (0.43) TSHRTHRB
SCHEMBL4444239 0.70 CA1 (0.43) TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4052486-A PROCESS FOR PREPARING CYCLIC PHOSPHINIC ACID ESTERS HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 — — US disclosed
Send feedback