1,5-Pentanediol

1,5-Pentanediol

SCHEMBL2885725

OCC1(CO)CCCCC1.OCCCCCO

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 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
SCHEMBL28433729 1.00 CYP4F2 (0.38) CYP4F2CYP4A11LMNAALDH1A1TSHR
1,6-Hexanediol SCHEMBL19326795 1.00 CYP4F2 (0.38) CYP4F2CYP4A11LMNAALDH1A1TSHR
SCHEMBL28756669 1.00 CYP4F2 (0.38) CYP4F2CYP4A11LMNAALDH1A1TSHR
SCHEMBL28689917 1.00 CYP4F2 (0.38) CYP4F2CYP4A11LMNAALDH1A1TSHR
Ethylene Glycol SCHEMBL9063868 0.86 TSHR (0.36) LMNAALDH1A1TSHRUSP2CYP1A2
SCHEMBL5673171 0.86 ALDH1A1 (0.39) LMNAALDH1A1TSHRUSP2CYP1A2
SCHEMBL302071 0.86 ALDH1A1 (0.39) LMNAALDH1A1TSHRUSP2CYP1A2
Cyclohexane SCHEMBL16390833 0.86 ALDH1A1 (0.39) LMNAALDH1A1TSHRUSP2CYP1A2
SCHEMBL15187 0.86 ALDH1A1 (0.39) LMNAALDH1A1TSHRUSP2CYP1A2
SCHEMBL22444527 0.86 ALDH1A1 (0.39) LMNAALDH1A1TSHRUSP2CYP1A2

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-7759424-B2 Radiation curable modified, unsaturated, amorphous polyesters EVONIK DEGUSSA GMBH (DE) 2010-07-20 US disclosed
US-20090035595-A1 RADIATION CURABLE MODIFIED, UNSATURATED, AMORPHOUS POLYESTERS DEGUSSA GMBH (DE) 2009-02-05 US disclosed