SCHEMBL42259

SCHEMBL42259

CC(C)(C)NC([O])=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
SCHEMBL133932 0.74 NPC1 (0.44)
SCHEMBL6859267 0.74 KDM4E (0.46)
SCHEMBL5002094 0.73
SCHEMBL29089016 0.73
SCHEMBL6363154 0.71
SCHEMBL124179 0.71
SCHEMBL9253 0.71
SCHEMBL1121578 0.71
SCHEMBL20899758 0.69 KDM4E (0.31)
SCHEMBL6729525 0.69 PIK3CD (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
US-20040029735-A1 Substituted herbicidal phenyluracils ANDREE ROLAND (DE) 2004-02-12 US claimed
US-6624120-B1 Such as 1-(4-cyano-2-fluoro-5-(6-methoxy-naphthalen-2-yl-oxy)-phenyl)-2,6-dioxo -1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-09-23 US claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
EP-1192140-A1 SUBSTITUTED HERBICIDAL PHENYLURACILS Bayer Aktiengesellschaft (DE) 2002-04-03 EP claimed
US-6323196-B1 ENZYME INHIBITORS AND COGNITION ACTIVATORS AVENTIS PHARMACEUTICALS INC. 2001-11-27 US claimed
WO-2000078734-A1 SUBSTITUTED HERBICIDAL PHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1020469-A2 Galanthamine derivatives, a process for their preparation and their use as medicaments SYNAPTECH, INC. (US) 2000-07-19 EP claimed
EP-0648771-A1 Galanthamine derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1995-04-19 EP claimed
JP-5179028-A None JP disclosed
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 EP disclosed
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 CN disclosed
CN-115554294-A 7-substituted 1-arylnaphthyridine-3-carboxamides and their use 拜耳股份公司 2023-01-03 CN disclosed
CN-115477649-A 7-substituted 1-arylnaphthyridine-3-carboxamides and their use 拜耳股份公司 2022-12-16 CN disclosed
EP-0251827-A2 New cyclic ether derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-01-07 EP disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed
US-4585762-A ANTITUMOR AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 US disclosed
EP-0100499-A2 Phospholipid derivatives, processes for preparation thereof and pharmaceutical composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-02-15 EP disclosed
US-3936462-A CNS DEPRESSANT, ANALGESIC STERLING DRUG INC. (US) 1976-02-03 US disclosed