1,3-Butanediol

1,3-Butanediol

SCHEMBL3107976

C=CC(=O)O.C=CC(=O)O.CC(O)CCO.OCC(O)CO

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 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
1,3-Butanediol SCHEMBL659565 0.92 LMNA (0.46) LMNAALDH1A1TDP1ALOX15HSD17B10
1,3-Butanediol SCHEMBL3883350 0.92 LMNA (0.46) LMNAALDH1A1TDP1ALOX15HSD17B10
1,3-Butanediol SCHEMBL20537096 0.86 LMNA (0.40) LMNAALDH1A1ALOX15HSD17B10TSHR
Acrylic Acid SCHEMBL11323515 0.84 THRB (0.59) THRBLMNAALDH1A1ALOX15HSD17B10
Acrylic Acid SCHEMBL8935013 0.84 THRB (0.59) THRBLMNAALDH1A1ALOX15HSD17B10
Glycerin SCHEMBL25331899 0.83 LMNA (0.56) THRBLMNAALDH1A1TDP1ALOX15
Glycerin SCHEMBL116158 0.83 LMNA (0.56) THRBLMNAALDH1A1TDP1ALOX15
Glycerin SCHEMBL733112 0.83 LMNA (0.56) THRBLMNAALDH1A1TDP1ALOX15
Glycerin SCHEMBL3370803 0.83 LMNA (0.56) THRBLMNAALDH1A1TDP1ALOX15
Glycerin SCHEMBL4946329 0.83 LMNA (0.56) THRBLMNAALDH1A1TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134729-B1 FLUOROCHEMICAL COMPOUNDS HAVING PENDENT SILYL GROUPS 3M INNOVATIVE PROPERTIES CO (US) 2013-12-04 EP disclosed
US-7825272-B2 Fluorochemical urethane compounds having pendent silyl groups 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-11-02 US disclosed
US-7745653-B2 Fluorochemical compounds having pendent silyl groups 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-06-29 US disclosed
US-20100105828-A1 FLUOROCHEMICAL URETHANE COMPOUNDS HAVING PENDENT SILYL GROUPS 3M INNOVATIVE PROPERTIES COMPANY 2010-04-29 US disclosed
EP-2134729-A2 FLUOROCHEMICAL COMPOUNDS HAVING PENDENT SILYL GROUPS 3M Innovative Properties Company (US) 2009-12-23 EP disclosed
EP-2121789-A1 FLUOROCHEMICAL URETHANE COMPOUNDS HAVING PENDENT SILYL GROUPS 3M Innovative Properties Company (US) 2009-11-25 EP disclosed
WO-2008112400-A2 FLUOROCHEMICAL COMPOUNDS HAVING PENDENT SILYL GROUPS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-09-18 WO disclosed
US-20080220264-A1 FLUOROCHEMICAL COMPOUNDS HAVING PENDENT SILYL GROUPS 3M INNOVATIVE PROPERTIES COMPANY 2008-09-11 US disclosed
WO-2008076639-A1 FLUOROCHEMICAL URETHANE COMPOUNDS HAVING PENDENT SILYL GROUPS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-06-26 WO 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-20080220264-A1 FLUOROCHEMICAL COMPOUNDS HAVING PENDENT SILYL GROUPS SGMS2, SGMS1, NOTUM THRB 4625/4885LMNA 1034/4885ALDH1A1 1770/4885

“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.