1,3-Butanediol

1,3-Butanediol

SCHEMBL3458713

CC(O)CCO.OCCCO

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 4/20 0.39
THRB P10828 1/20 0.38
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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 SCHEMBL16819072 0.94 TDP1 (0.56) TDP1TSHRTHRBALDH1A1SMN1; SMN2
1,3-Butanediol SCHEMBL1415145 0.94 TDP1 (0.44) TDP1TSHRTHRBALDH1A1SMN1; SMN2
1,3-Butanediol SCHEMBL8093341 0.94 TDP1 (0.44) TDP1TSHRTHRBALDH1A1SMN1; SMN2
1,6-Hexanediol SCHEMBL2190350 0.91 TSHR (0.43) TDP1TSHRTHRBALDH1A1SMN1; SMN2
1,5-Pentanediol SCHEMBL6423642 0.91 TSHR (0.43) TDP1TSHRTHRBALDH1A1SMN1; SMN2
1,3-Butanediol SCHEMBL28244301 0.91 TSHR (0.43) TDP1TSHRTHRBALDH1A1SMN1; SMN2
1,3-Butanediol SCHEMBL222874 0.90
1,3-Butanediol SCHEMBL227565 0.90
1,3-Butanediol SCHEMBL3427715 0.90 TDP1 (0.53) TDP1TSHRTHRBALDH1A1ALOX15
1,3-Butanediol SCHEMBL8176 0.90

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10378029-B2 Method of producing chemical substance TORAY INDUSTRIES, INC. (JP) 2019-08-13 US claimed
US-5102953-A Polysiloxaneurethane copolymer and polyvinyl chloride blends NIPPON POLURETHANE INDUSTRY CO., LTD. (JP) 1992-04-07 US claimed
CN-118304876-A Catalyst for producing ethylenically unsaturated carboxylic acid or carboxylic ester and production method 三菱化学英国有限公司 2024-07-09 CN disclosed
CN-111344059-B Catalyst for producing ethylenically unsaturated carboxylic acid or carboxylic ester and production method 三菱化学英国有限公司 2024-04-19 CN disclosed
US-20240075086-A1 Dermatological Product SYMRISE AG (DE) 2024-03-07 US disclosed
US-11786570-B2 Dermatological product SYMRISE AG (DE) 2023-10-17 US disclosed
EP-4141044-A1 BIO-BASED HOT MELT TACKIFIER Henkel AG & Co. KGaA (DE) 2023-03-01 EP disclosed
US-20210290707-A1 Dermatological Product SYMRISE AG (DE) 2021-09-23 US disclosed
EP-2890744-B1 FLAME-RETARDANT BENZOXAZINE-CONTAINING COMPOSITION HENKEL AG & CO KGAA (DE) 2021-02-17 EP disclosed
US-20190077972-A1 Anti-smudge and Anti-graffiti Compositions HU, HENG (CA) 2019-03-14 US disclosed
US-9428679-B2 Flame-retardant benzoxazine-containing composition HENKEL AG & CO. KGAA (DE) 2016-08-30 US disclosed
US-6786956-B2 INK HAVING THEREIN MIXTURE OF PHOSPHORIC ACID ESTER HAVING ACID NUMBER OF 90 TO 600 AND WEAKLY CATIONIC COMPONENT SELECTED FROM IMIDAZOLINE-TYPE ACTIVATOR, POLYOXYETHYLENE ALKYAMINE, POLYOXYETHYLENE ALKYLAMIDE, ALKYLALKANOLAMIDE MITSUBISHI PENCIL CO., LTD. (JP) 2004-09-07 US disclosed
US-20020139280-A1 Ballpoint pen oil-based ink composition and ballpoint pens MITSUBISHI PENCIL CO., LTD. 2002-10-03 US disclosed
US-20020098437-A1 Binder-type carrier and two-component developer utilizing the carrier MINOLTA CO., LTD. (JP) 2002-07-25 US disclosed
EP-0252425-B1 LOW MELTING URETHANE LINKED TOLUENEDIISOCYANATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1992-10-07 EP disclosed
EP-0081993-B1 OPTICALLY ACTIVE ALPHA-SUBSTITUTED ARYL KETONES, THEIR PREPARATION AND THEIR USE IN PREPARING ALPHA-ARYLALKANOIC ACIDS SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1988-08-17 EP disclosed
EP-0252425-A2 Low melting urethane linked toluenediisocyanates AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-01-13 EP disclosed
EP-0248195-A2 Process for producing aluminum alkoxide or aluminum aryloxide International Business Machines Corporation (US) 1987-12-09 EP disclosed
US-4683279-A REACTION WITH DIOL AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-07-28 US disclosed
EP-0081993-A2 Optically active alpha-substituted aryl ketones, their preparation and their use in preparing alpha-arylalkanoic acids SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1983-06-22 EP 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 (3 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-20210290707-A1 Dermatological Product DPM1, FUT5, NAMPT TDP1 1934/4885TSHR 3115/4885THRB 1809/4885
US-11786570-B2 Dermatological product DPM1, FUT5, NAMPT TDP1 1934/4885TSHR 3115/4885THRB 1809/4885
US-20240075086-A1 Dermatological Product DPM1, FUT5, NAMPT TDP1 1934/4885TSHR 3115/4885THRB 1809/4885

“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.