1,4-Butanediol

1,4-Butanediol

SCHEMBL6676091

C=CC(=O)OCCCCC.OCCCCO

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.75
HPGD P15428 1/20 0.75
ALDH1A1 P00352 3/20 0.64
CYP3A4 P08684 1/20 0.64
HCAR2 Q8TDS4 3/20 0.53
ATM Q13315 1/20 0.52
ACHE P22303 6/20 0.49
TP53 P04637 2/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 1/20 0.48
NAAA Q02083 1/20 0.46
THRB P10828 1/20 0.45

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
SCHEMBL23668738 1.00 TSHR (0.75) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL6685941 0.98 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL6689995 0.98 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4HCAR2
Cetyl Alcohol SCHEMBL5491839 0.98 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4HCAR2
Myristyl Alcohol SCHEMBL5499831 0.98 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL6677892 0.98 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL6686694 0.98 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4HCAR2
1,6-Hexanediol SCHEMBL22389547 0.98 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4HCAR2
Nonanol SCHEMBL21638808 0.98 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4HCAR2
1,6-Hexanediol SCHEMBL6687636 0.98 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004046803-A1 LIQUID CRYSTAL DEVICES WITH REDUCED SURFACE ANCHORING ENERGY QINETIQ LIMITED (GB) 2004-06-03 WO disclosed
EP-1046078-A1 LIQUID CRYSTAL DEVICE ALIGNMENT Hewlett-Packard Company (US) 2000-10-25 EP disclosed
WO-1999018474-A1 LIQUID CRYSTAL DEVICE ALIGNMENT HEWLETT-PACKARD COMPANY (US) 1999-04-15 WO disclosed