SCHEMBL6814772

SCHEMBL6814772

C1CCOCC1.C1CCOCC1.COCCOC

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL7703561 1.00 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1
Tetrahydrofuran SCHEMBL2361115 0.97 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1
Tetrahydrofuran SCHEMBL5235661 0.94 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1
SCHEMBL8859291 0.92 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1
SCHEMBL11713823 0.92 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1
SCHEMBL28246276 0.90 ALDH1A1 (0.38) ALDH1A1KDM4E
Tetrahydrofuran SCHEMBL310535 0.89 ALDH1A1 (0.42) ALDH1A1TDP1
Tetrahydrofuran SCHEMBL2336993 0.89 ALDH1A1 (0.42) ALDH1A1TDP1
Tetrahydrofuran SCHEMBL28609324 0.89 ALDH1A1 (0.42) ALDH1A1TDP1
Dioxane SCHEMBL2949971 0.84 TTR (0.43) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP disclosed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO disclosed
WO-2004007467-A1 NOVEL 3-(3-[AMINOSULFONYLAMINO]-4-CYANO-PHENYL)-6-TRIFLUOROMETHYL-URACILS BASF AKTIENGESELLSCHAFT (DE) 2004-01-22 WO disclosed
US-5681544-A Polymer-bonded complexing agents, their complexes and conjugates, processes for their production and pharmaceutical agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-28 US disclosed
US-5420310-A Anticoagulants, antiulcer, antiatherosclerosis agents formed in multistage reaction TORAY INDUSTRIES, INC. (JP) 1995-05-30 US disclosed
EP-0463162-B1 PREPARATION OF 5,6,7-TRINOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES TORAY INDUSTRIES (JP) 1994-05-11 EP disclosed
US-5202447-A Stereospecific TORAY INDUSTRIES, INC. (JP) 1993-04-13 US disclosed
EP-0463162-A1 PREPARATION OF 5,6,7-TRINOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1992-01-02 EP disclosed
EP-0015079-B1 HALOGENATING COMPOUNDS AND A PROCESS FOR THEIR PRODUCTION ELI LILLY AND COMPANY (US) 1987-09-09 EP disclosed
EP-0015079-A1 Halogenating compounds and a process for their production ELI LILLY AND COMPANY (US) 1980-09-03 EP disclosed
US-4156723-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1979-05-29 US disclosed
US-4123437-A REACTING A HYDRAZINE WITH AN ALKOXYCARBONYL ISOTHIOCYANATE, CYCLIZATION CIBA-GEIGY CORPORATION (US) 1978-10-31 US disclosed