1,4-Butanediol

1,4-Butanediol

SCHEMBL2168186

O=C(O)c1c(F)c(F)c(F)c(F)c1F.O=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F.OCCCCO

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA12 O43570 5/20 0.34
CA7 P43166 5/20 0.34
CA13 Q8N1Q1 5/20 0.34
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 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
SCHEMBL7074393 0.87 CA1 (0.37) HTTCA1CA2CA12CA7
1,4-Butanediol SCHEMBL2167184 0.85 HTT (0.42) HTTCA1CA2
SCHEMBL2167121 0.84 CA1 (0.36) HTTCA1CA2CA12CA7
1,3-Propanediol SCHEMBL2167505 0.81 HTT (0.42) HTTCA1CA2CA12CA7
SCHEMBL9405062 0.81 CA1 (0.40) HTTCA1CA2CA12CA7
SCHEMBL2168183 0.79 ESR1 (0.45) HTTCA1CA2
SCHEMBL5014329 0.79 CA1 (0.39) HTTCA1CA2CA12CA7
Ethylene Glycol SCHEMBL2167363 0.77 HTT (0.41) HTTCA1CA2MMP1MMP2
SCHEMBL7738469 0.76 CA1 (0.34) HTTCA1CA2CA12CA7
Ethylene Glycol SCHEMBL4583804 0.76 TSHR (0.41) HTT

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
US-8383274-B2 Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein UBE INDUSTRIES, LTD. (JP) 2013-02-26 US disclosed
US-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN UBE INDUSTRIES, LTD. (JP) 2011-07-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN HCN2, KCNN2, KCNB1 HTT 2186/4885CA1 1104/4885CA2 737/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.