1,3-Butanediol

1,3-Butanediol

SCHEMBL28084102

CC(O)CCO.OCC1CCC(CO)CC1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ESR2 Q92731 1/20 0.32
APLNR P35414 1/20 0.32
THRB P10828 1/20 0.31
TSHR P16473 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
SCHEMBL28260446 0.85 TDP1 (0.31) TDP1
SCHEMBL29035130 0.83 ALDH1A1 (0.41) ESR1CYP3A4CYP2C9ESR2APLNR
Propylene Glycol SCHEMBL28101394 0.82 TDP1 (0.56) TDP1ESR1CYP3A4CYP2C9ESR2
SCHEMBL9177731 0.79 APLNR (0.38) TDP1ESR1CYP3A4CYP2C9ESR2
1,3-Butanediol SCHEMBL227565 0.79
1,3-Butanediol SCHEMBL8176 0.79
1,3-Butanediol SCHEMBL3427715 0.79 TDP1 (0.53) TDP1THRBTSHR
1,3-Butanediol SCHEMBL222874 0.79
SCHEMBL1111499 0.78 TDP1 (0.36) TDP1ESR1CYP3A4CYP2C9ESR2
Cyclohexane SCHEMBL28198232 0.76 TDP1 (0.44) TDP1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109957088-A Grinding pad and grinding pad urethane resin compositions DIC株式会社 2019-07-02 CN disclosed
CN-109155166-A Transparent conducting film and its manufacturing method 株式会社钟化 2019-01-04 CN disclosed
CN-107922648-A Polyester film 东丽株式会社 2018-04-17 CN disclosed
CN-104822528-B The manufacture method of laminated sheet and its manufacture method and backboard used for solar batteries, solar cell module and backboard used for solar batteries 东丽株式会社 2017-09-26 CN disclosed
CN-103946285-B Polyester film, solar cell backboard, solar cell 东丽株式会社 2016-07-06 CN disclosed