1,4-Butanediol

1,4-Butanediol

SCHEMBL7108461

O=C(OCCO)c1ccc(C(=O)OCCO)cc1.OCCCCO

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
ESR1 P03372 4/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
MAPK1 P28482 1/20 0.52
NR1H2 P55055 1/20 0.52
RNASEL Q05823 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.50
CYP4A11 Q02928 2/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A2 P23975 1/20 0.50
KDR P35968 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL17551952 0.96 TDP1 (0.62) TDP1ESR1TSHRLMNACYP1A2
SCHEMBL10765868 0.94 TDP1 (0.59) TDP1ESR1TSHRLMNACYP1A2
SCHEMBL26378 0.93 TDP1 (0.56) TDP1ESR1TSHRLMNACYP1A2
1,4-Butanediol SCHEMBL562718 0.92 TDP1 (0.53) TDP1ESR1TSHRLMNACYP1A2
SCHEMBL128506 0.91 TDP1 (0.67) TDP1ESR1TSHRLMNACYP1A2
SCHEMBL13292517 0.91 TDP1 (0.54) TDP1ESR1TSHRLMNACYP1A2
Ethylene Glycol SCHEMBL28198373 0.91 TDP1 (0.54) TDP1ESR1TSHRLMNACYP1A2
SCHEMBL19235060 0.91 TDP1 (0.54) TDP1ESR1TSHRLMNACYP1A2
SCHEMBL26453328 0.91 TDP1 (0.54) TDP1ESR1TSHRLMNACYP1A2
Lithium SCHEMBL30805733 0.91 TDP1 (0.54) TDP1ESR1TSHRLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797102-B2 CAN BE UTILIZED IN FORMING LAMINATES WHICH CAN BE APPLIED TO AN END PRODUCT AS BY THERMOFORMING OMNOVA SOLUTIONS INC. 2004-09-28 US disclosed
EP-1257589-A1 CO-MINGLED POLYURETHANE-POLYVINYL ESTER POLYMER COMPOSITIONS AND A PROCESS FOR FORMING THE SAME OMNOVA SOLUTIONS INC. (US) 2002-11-20 EP disclosed
US-20020160205-A1 Co-mingled polyurethane-polyvinyl ester polymer compositions and a process for forming the same OMNOVA SOLUTIONS INC. 2002-10-31 US disclosed
WO-2001060878-A1 CO-MINGLED POLYURETHANE-POLYVINYL ESTER POLYMER COMPOSITIONS AND A PROCESS FOR FORMING THE SAME OMNOVA SOLUTIONS INC. (US) 2001-08-23 WO disclosed
EP-0036621-B1 A PROCESS FOR FORMING A COATING FILM MITSUBISHI RAYON CO., LTD. (JP) 1984-08-01 EP disclosed
EP-0036621-A1 A process for forming a coating film MITSUBISHI RAYON CO., LTD. (JP) 1981-09-30 EP disclosed