1,3-Butanediol

1,3-Butanediol

SCHEMBL19206985

CC(O)CCO.CCC(C)OC(C)=O.CCOCC

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
GALR3 O60755 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 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
Propylene Glycol SCHEMBL701829 0.88 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
Ether SCHEMBL2381381 0.88 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
1,3-Butanediol SCHEMBL4324455 0.82 ALDH1A1 (0.39) TSHRALDH1A1
1,3-Butanediol SCHEMBL28497928 0.82 ALDH1A1 (0.36) TSHRALDH1A1
1,3-Butanediol SCHEMBL4329603 0.82 ALDH1A1 (0.36) TSHRALDH1A1
1,3-Butanediol SCHEMBL4329597 0.81 ALDH1A1 (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
Propylene Glycol SCHEMBL5067090 0.80 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
Butanol SCHEMBL27909252 0.80 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
1,3-Butanediol SCHEMBL4123036 0.80 ALDH1A1 (0.43) TSHRALDH1A1
Butanol SCHEMBL10631785 0.78 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11678562-B2 Methods and systems of organic semiconducting polymers PHILLIPS 66 COMPANY (US) 2023-06-13 US disclosed
US-11600779-B2 Methods and systems of organic semiconducting polymers PHILLIPS 66 COMPANY (US) 2023-03-07 US disclosed
US-11289653-B2 Methods and systems of organic semiconducting polymers PHILLIPS 66 COMPANY (US) 2022-03-29 US disclosed
WO-2021041478-A2 METHODS AND SYSTEMS OF ORGANIC SEMICONDUCTING POLYMERS PHILLIPS 66 COMPANY (US) 2021-03-04 WO disclosed
WO-2021041456-A1 METHODS AND SYSTEMS OF ORGANIC SEMICONDUCTING POLYMERS PHILLIPS 66 COMPANY (US) 2021-03-04 WO disclosed
US-20210066621-A1 METHODS AND SYSTEMS OF ORGANIC SEMICONDUCTING POLYMERS PHILLIPS 66 COMPANY (US) 2021-03-04 US disclosed
US-20210066603-A1 METHODS AND SYSTEMS OF ORGANIC SEMICONDUCTING POLYMERS PHILLIPS 66 COMPANY (US) 2021-03-04 US disclosed
US-20210066610-A1 METHODS AND SYSTEMS OF ORGANIC SEMICONDUCTING POLYMERS PHILLIPS 66 COMPANY (US) 2021-03-04 US disclosed
US-10074804-B2 Picene derivative, photoelectric material, and photoelectric device ADEKA CORPORATION (JP) 2018-09-11 US disclosed
EP-3210986-A1 PICENE DERIVATIVE, PHOTOELECTRIC CONVERSION MATERIAL AND PHOTOELECTRIC CONVERSION ELEMENT Adeka Corporation (JP) 2017-08-30 EP disclosed
US-20170237011-A1 PICENE DERIVATIVE, PHOTOELECTRIC MATERIAL, AND PHOTOELECTRIC DEVICE ADEKA CORPORATION (JP) 2017-08-17 US disclosed