1,4-Butanediol

1,4-Butanediol

SCHEMBL28968699

COC(=O)OC.OCCCCO

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.42
CYP4F2 P78329 2/20 0.42
TSHR P16473 3/20 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
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 6/20 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
1,6-Hexanediol SCHEMBL29051068 0.97 CYP4F2 (0.45) CYP4A11CYP4F2TSHRSMN1; SMN2TDP1
1,6-Hexanediol SCHEMBL28856184 0.97 CYP4F2 (0.45) CYP4A11CYP4F2TSHRSMN1; SMN2TDP1
Ethylene Glycol SCHEMBL2352840 0.87 TSHR (0.42) CYP4A11CYP4F2TSHRSMN1; SMN2ALDH1A1
Butyl Alcohol SCHEMBL10783347 0.86 ALDH1A1 (0.58) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL6627801 0.82 ACHE (0.48) CYP4A11CYP4F2ACHE
Ethylene Glycol SCHEMBL9682292 0.81 TSHR (0.38) CYP4A11CYP4F2TSHRSMN1; SMN2ALDH1A1
1,4-Butanediol SCHEMBL27846618 0.81 GPR84 (0.46) CYP4A11CYP4F2TSHRSMN1; SMN2TDP1
1,4-Butanediol SCHEMBL4628862 0.81 ALDH1A1 (0.62) CYP4A11CYP4F2TSHRSMN1; SMN2TDP1
Ethylene Glycol SCHEMBL9683861 0.81 TSHR (0.38) CYP4A11CYP4F2TSHRSMN1; SMN2ALDH1A1
Alcohol SCHEMBL11246505 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115666930-A Solvent-based laminating adhesives 陶氏环球技术有限责任公司 2023-01-31 CN claimed
CN-115666930-A Solvent-based laminating adhesives 陶氏环球技术有限责任公司 2023-01-31 CN disclosed