Hexane

Hexane

SCHEMBL7071302

CC(C)O[Al](OC(C)C)OC(C)C.CCCCCC

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 3/20 0.38
OPRM1 P35372 1/20 0.38
TRPM8 Q7Z2W7 6/20 0.33
DNM1 Q05193 2/20 0.33
SLC22A1 O15245 2/20 0.32
SLC22A2 O15244 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2192862 0.83 ADRB2 (0.33) TSHR
SCHEMBL28172544 0.83 DNM1 (0.33) TSHRTHRBLMNAOPRM1DNM1
SCHEMBL27512012 0.81 DNM1 (0.36) TSHRTHRBLMNADNM1
SCHEMBL1050532 0.79 ADRB2 (0.35) TSHR
SCHEMBL1051083 0.79 ADRB2 (0.35) TSHR
SCHEMBL1268918 0.77
SCHEMBL19713169 0.76 LMNA (0.34) TSHRTHRBLMNAOPRM1TRPM8
SCHEMBL9676693 0.76 LMNA (0.34) TSHRTHRBLMNAOPRM1TRPM8
SCHEMBL19713153 0.74 TSHR (0.38) TSHRTHRBLMNAOPRM1TRPM8
SCHEMBL19713188 0.74 TSHR (0.38) TSHRTHRBLMNAOPRM1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620670-B2 Process conditions and precursors for atomic layer deposition (ALD) of AL2O3 APPLIED MATERIALS, INC. 2003-09-16 US claimed
US-20030139005-A1 PROCESS CONDITIONS AND PRECURSORS FOR ATOMIC LAYER DEPOSITION (ALD) OF AL2O3 APPLIED MATERIALS, INC. 2003-07-24 US claimed
US-6620670-B2 Process conditions and precursors for atomic layer deposition (ALD) of AL2O3 APPLIED MATERIALS, INC. 2003-09-16 US disclosed
US-20030139005-A1 PROCESS CONDITIONS AND PRECURSORS FOR ATOMIC LAYER DEPOSITION (ALD) OF AL2O3 APPLIED MATERIALS, INC. 2003-07-24 US disclosed