1,3-Butanediol

1,3-Butanediol

SCHEMBL1343973

CC(CO)CO.CC(O)CCO

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 4/20 0.46
THRB P10828 1/20 0.43
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 1/20 0.36
TRPA1 O75762 1/20 0.31
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP3A4 P08684 1/20 0.30
SLC5A7 Q9GZV3 1/20 0.30

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 SCHEMBL11215123 0.88 TDP1 (0.67) TDP1TSHRTHRBALDH1A1ALOX15
1,3-Butanediol SCHEMBL2382049 0.88 TDP1 (0.67) TDP1TSHRTHRBALDH1A1ALOX15
SCHEMBL25217822 0.88 TDP1 (0.56) TDP1TSHRTHRBALDH1A1TRPA1
1,3-Butanediol SCHEMBL227565 0.87
1,3-Butanediol SCHEMBL3427715 0.87 TDP1 (0.53) TDP1TSHRTHRBALDH1A1ALOX15
1,3-Butanediol SCHEMBL222874 0.87
1,3-Butanediol SCHEMBL8176 0.87
1,3-Butanediol SCHEMBL9420276 0.86 TSHR (0.41) TDP1TSHRTHRBLMNA
1,3-Butanediol SCHEMBL7210975 0.84 TDP1 (0.50) TDP1TSHRTHRBALDH1A1ALOX15
1,3-Butanediol SCHEMBL2587858 0.84 TDP1 (0.50) TDP1TSHRTHRBALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106832184-A A kind of thermoplastic silicone polyurethane elastomer and preparation method thereof 美瑞新材料股份有限公司 2017-06-13 CN claimed
EP-3600873-B1 COMPOSITE ELEMENT BASF SE (DE) 2021-03-03 EP disclosed
EP-3600873-A1 COMPOSITE ELEMENT BASF SE (DE) 2020-02-05 EP disclosed
EP-1954773-B1 COATING COMPOSITION CONTAINING A LOW VOC-PRODUCING SILANE MOMENTIVE PERFORMANCE MAT INC (US) 2019-06-19 EP disclosed
EP-1987077-B1 RADIATION CURABLE COMPOSITIONS ALLNEX Belgium SA (BE) 2017-04-12 EP disclosed
US-8367157-B2 Radiation curable compositions CYTEC SURFACE SPECIALTIES, S.A. (BE) 2013-02-05 US disclosed
US-8063170-B2 Radiation curable compositions CYTEC SURFACE SPECIALITIES, S.A. (BE) 2011-11-22 US disclosed
US-20110123768-A1 PLASTIC FILM, METHOD FOR PRODUCING SAME, POLARIZER AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2011-05-26 US disclosed
EP-1991590-B1 RADIATION CURABLE COMPOSITIONS CYTEC SURFACE SPECIALTIES SA (BE) 2009-10-21 EP disclosed
US-20090004483-A1 Radiation Curable Compositions CYTEC SURFACE SPECIALTIES, S.A. (BE) 2009-01-01 US disclosed
US-20090004377-A1 Radiation Curable Compositions ALLNEX BELGIUM S.A. (BE) 2009-01-01 US disclosed
EP-1991590-A1 RADIATION CURABLE COMPOSITIONS CYTEC SURFACE SPECIALTIES, S.A. (BE) 2008-11-19 EP disclosed
EP-1987077-A1 RADIATION CURABLE COMPOSITIONS CYTEC SURFACE SPECIALTIES, S.A. (BE) 2008-11-05 EP disclosed
WO-2007099016-A1 RADIATION CURABLE COMPOSITIONS CYTEC SURFACE SPECIALTIES, S.A. (BE) 2007-09-07 WO disclosed
EP-1826224-A1 Radiation curable compositions CYTEC SURFACE SPECIALTIES, S.A. (BE) 2007-08-29 EP disclosed
WO-2007093512-A1 RADIATION CURABLE COMPOSITIONS CYTEC SURFACE SPECIALTIES, S.A. (BE) 2007-08-23 WO disclosed
EP-1818349-A1 Radiation curable compositions CYTEC SURFACE SPECIALTIES, S.A. (BE) 2007-08-15 EP disclosed
US-20020120028-A1 Polyurethane elastomers which exhibit improved stability to hydrolysis BAYER AKTIENGESELLSCHAFT (DE) 2002-08-29 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-20110123768-A1 PLASTIC FILM, METHOD FOR PRODUCING SAME, POLARIZER AND LIQUID CRYSTAL DISPLAY DEVICE SORT1, FAM162A, LCP1 TDP1 2587/4885TSHR 2817/4885THRB 3998/4885

“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.