1,5-Pentanediol

1,5-Pentanediol

SCHEMBL7213154

C=C(C)C(=O)O.CCCOCCC.OCCCCCO

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 6/20 0.39
CES2 O00748 1/20 0.37
GAA P10253 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
Methacrylic Acid SCHEMBL7219056 1.00 TSHR (0.43) TSHRMEN1KMT2ATHRBHTT
1,6-Hexanediol SCHEMBL7219401 1.00 TSHR (0.43) TSHRMEN1KMT2ATHRBHTT
Methacrylic Acid SCHEMBL7212810 1.00 TSHR (0.43) TSHRMEN1KMT2ATHRBHTT
Methacrylic Acid SCHEMBL7218280 1.00 TSHR (0.43) TSHRMEN1KMT2ATHRBHTT
Methacrylic Acid SCHEMBL7219058 1.00 TSHR (0.43) TSHRMEN1KMT2ATHRBHTT
Methacrylic Acid SCHEMBL7212837 0.98 TSHR (0.40) TSHRMEN1KMT2ATHRBHTT
Methacrylic Acid SCHEMBL7218279 0.94 TSHR (0.40) TSHRMEN1KMT2ATHRBHTT
Methacrylic Acid SCHEMBL8440905 0.90 THRB (0.39) TSHRMEN1KMT2ATHRBHTT
Methacrylic Acid SCHEMBL5173507 0.88 GAA (0.47) TSHRMEN1KMT2ATHRBHTT
Methacrylic Acid SCHEMBL3647974 0.88 THRB (0.43) TSHRTHRBLMNAALDH1A1HSD17B10

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-6624236-B1 Sol-gel-condensable cyclosiloxane(meth) acrylates; dentistry 3M ESPE AG (DE) 2003-09-23 US disclosed