Ethohexadiol

Ethohexadiol

SCHEMBL6701152

CC(C)C(=O)O.CCCC(O)C(CC)CO

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.73
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.37
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
OR51E2 Q9H255 1/20 0.33
GRIK1 P39086 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
Ethohexadiol SCHEMBL27591299 0.88 LMNA (0.79) LMNACHRM1AKR1A1CHRM3HTR2A
Ethohexadiol SCHEMBL6282991 0.85 LMNA (1.00) LMNATDP1TSHRTP53
Ethohexadiol SCHEMBL38007 0.85 LMNA (1.00) LMNATDP1TSHRTP53
Ethohexadiol SCHEMBL1229592 0.84 LMNA (0.86) LMNATDP1TSHRTP53
Ethohexadiol SCHEMBL1229925 0.84 LMNA (0.86) LMNATDP1TSHRTP53
Ethohexadiol SCHEMBL9621649 0.84 LMNA (0.86) LMNATDP1TSHRTP53
Ethohexadiol SCHEMBL1230734 0.84 LMNA (0.86) LMNATDP1TSHRTP53
Ethohexadiol SCHEMBL6150812 0.84 LMNA (0.86) LMNACHRM1AKR1A1CHRM3HTR2A
Ethohexadiol SCHEMBL2010957 0.84 LMNA (0.86) LMNATDP1TSHRTP53
Ethohexadiol SCHEMBL610774 0.83 LMNA (0.95) LMNATDP1TSHRTP53

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
US-4894406-A 2-ALKYL-1,3-HEXANEDIOL ALKYL ESTERS EASTMAN KODAK COMPANY (US) 1990-01-16 US claimed
US-11292935-B2 Composition for encapsulation and containment of substances Tru BLOC LLC (US) 2022-04-05 US disclosed
US-20200385603-A1 Composition for Encapsulation and Containment of Substances Tru BLOC LLC (US) 2020-12-10 US disclosed
US-10752800-B2 Composition for encapsulation and containment of substances Tru BLOC LLC (US) 2020-08-25 US disclosed
US-20190055424-A1 Composition for Encapsulation and Containment of Substances Tru BLOC LLC (US) 2019-02-21 US disclosed
WO-2019036248-A1 COMPOSITION FOR ENCAPSULATION AND CONTAINMENT OF SUBSTANCES Tru BLOC LLC (US) 2019-02-21 WO disclosed
US-20040202955-A1 an offset lithographic printing master by imagewise application of droplets of a coalescing agent on an imageable layer comprising hydrophobic polymer particles precoated on a hydrophilic lithographic base; a developer removes the noncoalesced areas KODAK GRAPHIC COMMUNICATIONS CANADA COMPANY (CA) 2004-10-14 US disclosed
US-4894406-A 2-ALKYL-1,3-HEXANEDIOL ALKYL ESTERS EASTMAN KODAK COMPANY (US) 1990-01-16 US disclosed