1,4-Butanediol

1,4-Butanediol

SCHEMBL3974244

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 3/20 0.41
CD81 P60033 2/20 0.39
GPR84 Q9NQS5 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CAMK2A Q9UQM7 1/20 0.35
EP300 Q09472 1/20 0.34
PPARG P37231 1/20 0.34
TBXAS1 P24557 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
BACE1 P56817 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PTGS1 P23219 1/20 0.31
AKR1C3 P42330 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL27618 0.93 EP300 (0.42) SQLECD81GPR84FFAR1FFAR4
SCHEMBL149249 0.93 EP300 (0.42) SQLECD81GPR84FFAR1FFAR4
SCHEMBL7713666 0.91 EP300 (0.41) SQLECD81GPR84FFAR1FFAR4
SCHEMBL22607803 0.91 EP300 (0.45) SQLECD81GPR84FFAR1FFAR4
SCHEMBL1686031 0.91 EP300 (0.45) SQLECD81GPR84FFAR1FFAR4
SCHEMBL21065579 0.91 EP300 (0.45) SQLECD81GPR84FFAR1FFAR4
SCHEMBL21065587 0.91 EP300 (0.45) SQLECD81GPR84FFAR1FFAR4
SCHEMBL22607802 0.91 EP300 (0.45) SQLECD81GPR84FFAR1FFAR4
SCHEMBL9069525 0.91 EP300 (0.45) SQLECD81GPR84FFAR1FFAR4
SCHEMBL3679830 0.91 EP300 (0.45) SQLECD81GPR84FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8529789-B2 Curable composition TOKUYAMA CORPORATION (JP) 2013-09-10 US disclosed
EP-1130038-B1 PHOTOCHROMIC CURABLE COMPOSITION TOKUYAMA CORP (JP) 2009-05-06 EP disclosed
US-20050263745-A1 Method of preparing a ceramic artificial crown and a preparation kit used therefor TOKUYAMA CORPORATION (JP) 2005-12-01 US disclosed
EP-1291388-B1 CURABLE COMPOSITION AND PHOTOCHROMIC CURED ARTICLE TOKUYAMA CORP (JP) 2005-07-13 EP disclosed
US-6698883-B2 COLOR DENSITY AND A LARGE FADING RATE, HARDNESS, HEAT RESISTANCE AND SHOCK RESISTANCE; AS OPTICAL MATERIAL SUCH AS A PHOTOCHROMIC LENS MATERIAL TOKUYAMA CORPORATION (JP) 2004-03-02 US disclosed
EP-1291388-A1 CURABLE COMPOSITION AND PHOTOCHROMIC CURED ARTICLE TOKUYAMA CORPORATION (JP) 2003-03-12 EP disclosed
US-20030008958-A1 Curable composition and photochromic cured article TOKUYAMA CORPORATION (JP) 2003-01-09 US disclosed
EP-1130038-A1 CURABLE COMPOSITION TOKUYAMA CORPORATION (JP) 2001-09-05 EP disclosed