SCHEMBL640906

SCHEMBL640906

CC(C)CC(=O)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
Bromide SCHEMBL6207345 0.97
SCHEMBL36990 0.81 CYP2C19 (0.59)
SCHEMBL10834211 0.81 CYP2C19 (0.59)
SCHEMBL10656542 0.78
SCHEMBL6398747 0.78
SCHEMBL11458348 0.78 TRPA1 (0.36)
Fluoride SCHEMBL5203462 0.78 CYP2C19 (0.56)
Methane SCHEMBL9155165 0.78 CYP2C19 (0.56)
Hydrogen Peroxide SCHEMBL16799548 0.78 CYP2C19 (0.56)
Water SCHEMBL3865217 0.78 CYP2C19 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999732-B2 P2X3 receptor antagonists RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2024-06-04 US disclosed
CN-112584898-B P2X 3 Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2024-01-26 CN disclosed
US-20210246139-A1 P2X3 RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2021-08-12 US disclosed
EP-3820566-A1 P2X3 RECEPTOR ANTAGONISTS Recordati Industria Chimica E Farmaceutica SPA (IT) 2021-05-19 EP disclosed
CN-112584898-A P2X3Receptor antagonists 瑞蔻达蒂化学和制药工业股份有限公司 2021-03-30 CN disclosed
US-10844459-B2 Process for extracting and recovering tantalum present in an acid aqueous phase by means of an ionic liquid, and use of such an ionic liquid for extracting the tantalum from an acid aqueous phase CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-11-24 US disclosed
EP-3334846-B1 PROCESSES FOR EXTRACTING AND RECOVERING TANTALUM PRESENT IN AN ACID AQUEOUS PHASE BY MEANS OF AN IONIC LIQUID, AND USE OF SUCH AN IONIC LIQUID FOR EXTRACTING THE TANTALUM FROM AN ACID AQUEOUS PHASE CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
WO-2020011921-A1 P2X3 RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2020-01-16 WO disclosed
EP-3334846-A1 PROCESSES FOR EXTRACTING AND RECOVERING TANTALUM PRESENT IN AN ACID AQUEOUS PHASE BY MEANS OF AN IONIC LIQUID, AND USE OF SUCH AN IONIC LIQUID FOR EXTRACTING THE TANTALUM FROM AN ACID AQUEOUS PHASE Centre National De La Recherche Scientifique (FR) 2018-06-20 EP disclosed
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-5665716-A 24-homo vitamin D derivatives, process for their production and pharmaceutical preparations obtained therefrom SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-09 US disclosed
CN-1106666-A Pharmaceutical use of 24-homo-vitamin-D-derivative SCHERING AG (DE) 1995-08-16 CN disclosed
EP-0441467-B1 Side chain homologes of vitamin D derivatives, process for their preparation, pharmaceutical compositions containing them and their use as medicines SCHERING AG (DE) 1994-06-01 EP disclosed
EP-0421561-B1 24-D-homo-vitamin D-derivatives, a process for their production, pharmaceutical compositions containing them and their use as medicines SCHERING AG (DE) 1994-04-06 EP disclosed
EP-0291798-B1 HYDROXYALKYLTRIAZOL DERIVATIVES BAYER AG (DE) 1992-03-18 EP disclosed
WO-1991012238-A1 SIDE-CHAIN-HOMOLOGOUS VITAMIN D DERIVATIVES, PROCESS FOR PRODUCING THEM, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-08-22 WO disclosed
EP-0441467-A1 Side chain homologes of vitamin D derivatives, process for their preparation, pharmaceutical compositions containing them and their use as medicines SCHERING AKTIENGESELLSCHAFT (DE) 1991-08-14 EP disclosed
EP-0421561-A2 24-D-homo-vitamin D-derivatives, a process for their production, pharmaceutical compositions containing them and their use as medicines SCHERING AKTIENGESELLSCHAFT (DE) 1991-04-10 EP disclosed
EP-0291798-A2 Hydroxyalkyltriazol derivatives BAYER AG (DE) 1988-11-23 EP disclosed
US-4240983-A HALOGENATION BAYER AKTIENGESELLSCHAFT (DE) 1980-12-23 US disclosed