2-Pentanol

2-Pentanol

SCHEMBL27260565

CCCC(C)O.CN(C)C

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
FDPS P14324 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
AOC3 Q16853 1/20 0.36
HSD17B10 Q99714 1/20 0.36
METAP1 P53582 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
SPHK1 Q9NYA1 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
2-Pentanol SCHEMBL469224 0.90
2-Pentanol SCHEMBL14956 0.90
2-Pentanol SCHEMBL469268 0.90
2-Pentanol SCHEMBL17511847 0.90 TSHR (0.53) TSHRFDPSTDP1HSD17B10METAP1
2-Pentanol SCHEMBL5141639 0.87
2-Pentanol SCHEMBL28809354 0.87
2-Pentanol SCHEMBL1782096 0.87
2-Pentanol SCHEMBL11046874 0.87 TSHR (0.50) TSHRFDPSTDP1HSD17B10METAP1
2-Pentanol SCHEMBL31375664 0.87
2-Pentanol SCHEMBL841726 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1028875-C Methods for reducing friction between relatively slideable components using metal carboxylates LUBRIZOL CORP (US) 1995-06-14 CN disclosed
CN-1022257-C Method for reducing friction between railroad wheel and railway track using metal overbased colloidal disperse systems LUBRIZOL CORP (US) 1993-09-29 CN disclosed
CN-1046552-A Utilize metal carboxylate to reduce the method that rubs between the relatively sliding part LUBRIZOL CORP (US) 1990-10-31 CN disclosed