1,4-Butanediol

1,4-Butanediol

SCHEMBL4628862

COC(C)=O.OCCCCO

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
CYP4A11 Q02928 3/20 0.42
CYP4F2 P78329 2/20 0.42
TSHR P16473 3/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 4/20 0.38

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
1-Heptanol SCHEMBL4633316 0.87 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Tridecan-1-Ol SCHEMBL28180383 0.87 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Octanol SCHEMBL28140165 0.87 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Acetic Acid Methyl Ester SCHEMBL2482712 0.87 ALDH1A1 (0.71) ALDH1A1CYP4A11CYP4F2TSHRMGAM
Acetic Acid Methyl Ester SCHEMBL28156434 0.87 ALDH1A1 (0.71) ALDH1A1CYP4A11CYP4F2TSHRMGAM
Acetic Acid Methyl Ester SCHEMBL260943 0.87
Acetic Acid Methyl Ester SCHEMBL27612310 0.87 ALDH1A1 (0.71) ALDH1A1CYP4A11CYP4F2TSHRMGAM
Butyl Alcohol SCHEMBL6192323 0.86 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Butyl Alcohol SCHEMBL28154977 0.84 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Acetic Acid Methyl Ester SCHEMBL3409709 0.84 ALDH1A1 (0.50) ALDH1A1CYP4A11CYP4F2TSHRMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563371-B Polysiloxane composition comprising acetal-protected silanol groups 日产化学株式会社 2021-09-21 CN disclosed
EP-1535976-B1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR CORP (JP) 2008-01-16 EP disclosed
EP-1535976-A1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR Corporation (JP) 2005-06-01 EP disclosed
US-20050112386-A1 Composition for film formation, method for preparing the composition, and method for forming insulating film JSR CORPORATION (JP) 2005-05-26 US disclosed