1,3-Butanediol

1,3-Butanediol

SCHEMBL8729435

C=CC.CC(O)CCO.OCCO

nearest known ligand 0.38

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33

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 SCHEMBL21247045 1.00 TDP1 (0.38) TDP1TSHRALDH1A1THRBALOX15
1,3-Butanediol SCHEMBL2871177 1.00 TDP1 (0.38) TDP1TSHRALDH1A1THRBALOX15
1,3-Butanediol SCHEMBL18489821 0.97
1,3-Butanediol SCHEMBL29094169 0.97 TDP1 (0.40) TDP1TSHRALDH1A1THRBALOX15
1,3-Butanediol SCHEMBL3376246 0.88 ALDH1A1 (0.34) TDP1TSHRALDH1A1ALOX15
1,3-Butanediol SCHEMBL11682882 0.86 TDP1 (0.44) TDP1TSHRALDH1A1THRBALOX15
1,3-Butanediol SCHEMBL2587858 0.86 TDP1 (0.50) TDP1TSHRALDH1A1THRBALOX15
Ethylene Glycol SCHEMBL22367799 0.85 TDP1 (0.35) TDP1TSHRALDH1A1
1,3-Butanediol SCHEMBL10532302 0.84 TSHR (0.47) TDP1TSHRALDH1A1THRBALOX15
Propylene Glycol SCHEMBL5191636 0.83 TDP1 (0.59) TDP1TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651632-A1 HAIR COSMETIC COMPOSITION. KAO CORP (JP) 1995-05-10 EP claimed
WO-1994002111-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 1994-02-03 WO claimed
CN-1299990-A Toner, method for producing said toner, imaging method and apparatus unit thereof CANON KK (JP) 2001-06-20 CN disclosed
EP-0816431-A2 Thermoplastic polyester composition having enhanced sliding properties POLYPLASTICS CO. LTD. (JP) 1998-01-07 EP disclosed
US-5587155-A COMPRISING A FATTY ACID, POLYHYDRIC ALCOHOL, AROMATIC ALCOHOL AND AT LEAST ONE QUATERNARY AMMONIUM COMPOUND; HAIR CONDITIONERS KAO CORPORATION (JP) 1996-12-24 US disclosed
EP-0651632-A1 HAIR COSMETIC COMPOSITION. KAO CORP (JP) 1995-05-10 EP disclosed
WO-1994002111-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 1994-02-03 WO disclosed
US-3974296-A Simulated egg and meat pet food THE QUAKER OATS COMPANY (US) 1976-08-10 US disclosed