1,4-Butanediol

1,4-Butanediol

SCHEMBL3216941

CN(C)c1ccccc1.OCCCCO

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 9/20 0.46
TSHR P16473 4/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
CHKA P35790 2/20 0.44
HTT P42858 2/20 0.44
GFER P55789 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
Propanol SCHEMBL28293061 0.86 HPGD (0.47) RAB9AMEN1KMT2AHPGDNPC1
Alcohol SCHEMBL2682103 0.85 ALDH1A1 (0.50) RAB9AMEN1KMT2AHPGDNPC1
Methyl Alcohol SCHEMBL28992242 0.82 ALDH1A1 (0.59) RAB9AMEN1KMT2AHPGDNPC1
Methyl Alcohol SCHEMBL27883706 0.82 ALDH1A1 (0.59) RAB9AMEN1KMT2AHPGDNPC1
SCHEMBL10557768 0.82 ALDH1A1 (0.67) RAB9AMEN1KMT2AHPGDNPC1
SCHEMBL21208167 0.82 ALDH1A1 (0.67) RAB9AMEN1KMT2AHPGDNPC1
SCHEMBL16187039 0.82
SCHEMBL8277 0.82
SCHEMBL7879117 0.82
SCHEMBL9755649 0.80 OPRM1 (0.47) OPRM1OPRL1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226820-A1 Sterile Polymerizable Systems And Kits And Methods Of Their Manufacture And Use PRABHU VASANTH 2010-09-09 US disclosed
US-20080319380-A1 Sterile Polymerizable Systems And Kits And Methods Of Their Manufacture And Use VITA SPECIAL PURPOSE CORPORATION (US) 2008-12-25 US disclosed
EP-1359944-A4 STERILE POLYMERIZABLE SYSTEMS AND KITS AND METHODS OF THEIR MANUFACTURE AND USE VITA SPECIAL PURPOSE CORP (US) 2005-09-07 EP disclosed
US-20050008528-A1 Sterile polymerizable systems and kits and methods of their manufacture and use VITA SPECIAL PURPOSE CORP. 2005-01-13 US disclosed
US-6800245-B1 INDIVIDUAL PURIFYING VISCOUS TISSUE RESTORATIVE MATERIAL THEN COMBINING INTO READY TO USE DELIVERY KIT VITA SPECIAL PURPOSE CORPORATION 2004-10-05 US disclosed
EP-1359944-A2 STERILE POLYMERIZABLE SYSTEMS AND KITS AND METHODS OF THEIR MANUFACTURE AND USE Vita Special Purpose Corporation (US) 2003-11-12 EP disclosed
WO-2002072156-A2 STERILE POLYMERIZABLE SYSTEMS AND KITS AND METHODS OF THEIR MANUFACTURE AND USE VITA SPECIAL PURPOSE CORPORATION (US) 2002-09-19 WO disclosed