SCHEMBL513709

SCHEMBL513709

C=C(C)CO[C]=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL164045 0.79 THRB (0.31)
SCHEMBL3098373 0.76
SCHEMBL9189712 0.74
SCHEMBL4187792 0.74
SCHEMBL1387290 0.74
SCHEMBL6718384 0.72
SCHEMBL515513 0.72
SCHEMBL7762375 0.72
SCHEMBL8852902 0.72
SCHEMBL3859770 0.72

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 398 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832082-B1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ASTRAZENECA AB (SE) 2001-11-21 EP claimed
EP-0516392-B1 Naphthyridine derivatives as angiotensin II inhibitors ASTRAZENECA AB (SE) 2001-08-29 EP claimed
US-6083951-A FOR THE TREATMENT OF DISEASES OR MEDICAL CONDITIONS SUCH AS HYPERTENSION, PULMONARY HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE ZENECA LIMITED (GB) 2000-07-04 US claimed
US-6037341-A HAVING POTENT ANTIMICROBIAL EFFECTS OVER GRAM-POSITIVE BACTERIA AND GRAM-NEGATIVE BACTERIA EISAI CO., LTD. (JP) 2000-03-14 US claimed
EP-0752986-B1 N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LTD (GB) 1999-05-19 EP claimed
US-5861401-A TREATMENT OF CONGESTIVE HEART FAILURE ZENECA LIMITED (GB) 1999-01-19 US claimed
US-5856556-A Azetidinone derivatives, a process for their preparation and their use as intermediates in the preparation of carbapenem antibiotics SANKYO COMPANY, LIMITED (JP) 1999-01-05 US claimed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP claimed
JP-H09510987-A 1997-11-04 JP claimed
US-5679800-A DISPERSE DYES AND INTERMEDIATES FOR DISPERSE DYES CLARIANT FINANCE (BVI) LIMITED (VG) 1997-10-21 US claimed
EP-0499414-A2 Pyridine derivatives as angiotensin II antagonists, processes for their preparation and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1992-08-19 EP claimed
US-5130318-A Hypotensive agents and for treatment of congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-14 US claimed
EP-0453210-A2 Pyridine derivatives ZENECA LIMITED (GB) 1991-10-23 EP claimed
US-4962104-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-09 US claimed
EP-0374559-A2 Substituted-2-phenyl-2,2-difluoroethyl thiocarbonates, process for their preparation and their use as herbicides BAYER AG (DE) 1990-06-27 EP claimed
US-4736055-A STARING MATERIAL FOR PHOTORESIST POLYMERS CIBA-GEIGY CORPORATION (US) 1988-04-05 US claimed
EP-0069069-B1 POLYMERISABLE COMPOSITIONS AND POLYMERISATION PRODUCTS RESULTING THEREFROM CIBA-GEIGY AG (CH) 1988-03-02 EP claimed
EP-0069069-A2 Polymerisable compositions and polymerisation products resulting therefrom CIBA-GEIGY AG (CH) 1983-01-05 EP claimed
US-4148895-A HYPOTENSIVE, ANTIARRHYMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-10 US claimed
US-3935213-A Process for hypotensive 4-amino-2-(piperazin-1-yl) quinazoline derivatives PFIZER INC. (US) 1976-01-27 US claimed