SCHEMBL477823

SCHEMBL477823

CC(=O)C(C)(C)CBr

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
SCHEMBL13886363 0.81
SCHEMBL7826296 0.78 TRPA1 (0.37)
SCHEMBL3950975 0.77
SCHEMBL314782 0.75
SCHEMBL13400166 0.73 GAA (0.43)
SCHEMBL13156166 0.73 GAA (0.38)
SCHEMBL3714708 0.73
SCHEMBL3633544 0.73
SCHEMBL18718161 0.73
SCHEMBL10690402 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267142-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2023-11-01 EP disclosed
EP-4185622-A1 METALLOCENE COMPLEXES AND CATALYSTS MADE THEREFROM Borealis AG (AT) 2023-05-31 EP disclosed
EP-4185621-A1 PROCESS FOR THE PREPARATION OF A MULTIMODAL POLYETHYLENE Borealis AG (AT) 2023-05-31 EP disclosed
WO-2022140647-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-06-30 WO disclosed
WO-2022018290-A1 PROCESS FOR THE PREPARATION OF A MULTIMODAL POLYETHYLENE BOREALIS AG (AT) 2022-01-27 WO disclosed
EP-3852748-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2021-07-28 EP disclosed
WO-2020061113-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
EP-3615533-A1 FUSED INDAZOLE PYRIDONE COMPOUNDS AS ANTIVIRALS Novartis AG (CH) 2020-03-04 EP disclosed
EP-3532476-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2019-09-04 EP disclosed
EP-3507291-A1 FUSED BICYCLIC SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2019-07-10 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
EP-0741737-A1 WATERSOLUBLE AZOLE ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1996-11-13 EP disclosed
WO-1995019983-A1 WATERSOLUBLE AZOLE ANTIFUNGALS JANSSEN PHARMACEUTICA N.V. (BE) 1995-07-27 WO disclosed
EP-0107366-A1 Pyrrolidinone analogs and precursors ELI LILLY AND COMPANY (US) 1984-05-02 EP disclosed
EP-0010183-B1 3,3-BISFLUOROMETHYL-BUTAN-2-ONE AND PROCESS FOR ITS PREPARATION BAYER AG (DE) 1982-06-16 EP disclosed
US-4267381-A SYNTHESIS OF FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-12 US disclosed
US-4255434-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 US disclosed
EP-0010183-A1 3,3-bisfluoromethyl-butan-2-one and process for its preparation BAYER AG (DE) 1980-04-30 EP disclosed