1,4-Butanediol

1,4-Butanediol

SCHEMBL5799331

C=CC(=O)OC(=O)CC(C)=O.OCCCCO

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TSHR P16473 8/20 0.39
HPGD P15428 1/20 0.36
ALDH1A1 P00352 7/20 0.35
CYP3A4 P08684 2/20 0.35
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31

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
Ethylene Glycol SCHEMBL5797276 0.92 MGAM (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL867454 0.90 MGAM (0.48) MGAMGAASIMGAM2TSHR
Propylene Glycol SCHEMBL5799048 0.82 TSHR (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL29119621 0.79 TSHR (0.43) GAATSHRHPGDALDH1A1CYP3A4
SCHEMBL8009053 0.77 TSHR (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL28909748 0.76 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4TP53
Acrylic Acid Methyl Ester SCHEMBL27334995 0.76 TSHR (0.48) TSHRHPGDALDH1A1CYP3A4TP53
1,4-Butanediol SCHEMBL5797430 0.76 ALDH1A1 (0.41) MGAMGAASIMGAM2TSHR
1,4-Butanediol SCHEMBL5325145 0.76 TSHR (0.41) TSHRHPGDALDH1A1CYP3A4TP53
1,6-Hexanediol SCHEMBL10634052 0.74 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4TP53

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
WO-2006024885-A1 PROCESS FOR THE PREPARATION OF POLYISOCYANATE/POLYSILICIC ACID BASED POLYADDITION AND HYBRID RESINS USING BLOCKED POLYISO-CYANATES AND BLOCKED POLYISOCYANATES USABLE IN THE PROCESS POLINVENT FEJLESZTO, KIVITELEZO ÉS ÉRTÉKESÍTO KFT (HU) 2006-03-09 WO claimed
WO-2006024885-A1 PROCESS FOR THE PREPARATION OF POLYISOCYANATE/POLYSILICIC ACID BASED POLYADDITION AND HYBRID RESINS USING BLOCKED POLYISO-CYANATES AND BLOCKED POLYISOCYANATES USABLE IN THE PROCESS POLINVENT FEJLESZTO, KIVITELEZO ÉS ÉRTÉKESÍTO KFT (HU) 2006-03-09 WO disclosed