SCHEMBL5318521

SCHEMBL5318521

[CH2]CC(=O)NC(C)(C)C

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
SCHEMBL18026348 0.79 ALDH1A1 (0.47)
SCHEMBL9878174 0.79 SMN1; SMN2 (0.44)
SCHEMBL8435313 0.77 HPGD (0.48)
SCHEMBL19171550 0.77 SMN1; SMN2 (0.50)
SCHEMBL8435737 0.75 PIK3CD (0.61)
SCHEMBL155565 0.74
SCHEMBL1121578 0.74
SCHEMBL1121579 0.74
SCHEMBL6356662 0.74
SCHEMBL18860307 0.74 ALDH1A1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515908-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2019-07-31 EP claimed
CN-109923112-A Kill the oxadiazole derivatives of microorganism 先正达参股股份有限公司 2019-06-21 CN claimed
WO-2018055135-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-29 WO claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
EP-1121372-B1 ADENINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 EP claimed
US-6326359-B1 PURINE DERIVATIVES PFIZER INC 2001-12-04 US claimed
EP-1121372-A1 ADENINE DERIVATIVES Pfizer Limited (GB) 2001-08-08 EP claimed
WO-2000023457-A1 ADENINE DERIVATIVES PFIZER LIMITED (GB) 2000-04-27 WO claimed
US-11154060-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-10-26 US disclosed
US-20200138027-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-07 US disclosed
EP-3515908-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2019-07-31 EP disclosed
CN-109923112-A Kill the oxadiazole derivatives of microorganism 先正达参股股份有限公司 2019-06-21 CN disclosed
EP-3458446-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2019-03-27 EP disclosed
CN-109153657-A Microbicidal oxadiazole derivatives 先正达参股股份有限公司 2019-01-04 CN disclosed
US-5352659-A Polypeptide; hypotensive agents TAKEDA CHEMICAL INDUSTRIES (JP) 1994-10-04 US disclosed
US-5306808-A Endothelin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-26 US disclosed
EP-0547317-A1 Endothelin antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-23 EP disclosed
EP-0499266-A1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-19 EP disclosed
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 WO disclosed