1,5-Pentanediol

1,5-Pentanediol

SCHEMBL944486

C=C(C)C(=O)OCC(C)(C)CO.OCCCCCO

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CYP4F2 P78329 3/20 0.38
CYP4A11 Q02928 3/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6866091 0.94 TSHR (0.54) TSHRCYP4F2CYP4A11THRBALDH1A1
1,6-Hexanediol SCHEMBL1899770 0.93 TSHR (0.46) TSHRCYP4F2CYP4A11THRBALDH1A1
SCHEMBL2120834 0.93 TSHR (0.46) TSHRCYP4F2CYP4A11THRBALDH1A1
SCHEMBL27278 0.91 TSHR (0.45) TSHRTHRBALDH1A1TDP1POLB
Methacrylic Acid SCHEMBL18037940 0.86 TSHR (0.41) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL19433445 0.86 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL3733736 0.85 TSHR (0.44) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL25783228 0.84 THRB (0.42) TSHRTHRBALDH1A1
SCHEMBL15326991 0.84 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL3163719 0.83 TSHR (0.37) TSHRTHRBALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8709697-B2 Method of manufacturing toner RICOH COMPANY, LTD. (JP) 2014-04-29 US disclosed
US-20110014565-A1 METHOD OF MANUFACTURING TONER RICOH COMPANY, LTD (JP) 2011-01-20 US disclosed