SCHEMBL4855868

SCHEMBL4855868

O=C(OC(=O)C(F)(F)Br)C(F)(F)Br

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
SCHEMBL31412982 0.97
SCHEMBL28982624 0.87 ELANE (0.35)
SCHEMBL4855878 0.83 ALDH1A1 (0.45)
SCHEMBL31330763 0.80
SCHEMBL24454600 0.78
SCHEMBL543581 0.75
SCHEMBL30063552 0.75
SCHEMBL4855723 0.75
SCHEMBL4849245 0.75
SCHEMBL52 0.72 CA2 (0.35)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327361-A1 RADIOLABELED COMPOSITIONS AND METHODS OF USE THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-10-03 US claimed
WO-2022174193-A1 RADIOLABELED COMPOSITIONS AND METHODS OF USE THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-08-18 WO claimed
US-7414148-B2 Process for producing alkoxycarbonylfluoroalkanesulfonates CENTRAL GLASS COMPANY LIMITED (JP) 2008-08-19 US claimed
US-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES CENTRAL GLASS COMPANY, LIMITED (JP) 2008-05-08 US claimed
US-20240327361-A1 RADIOLABELED COMPOSITIONS AND METHODS OF USE THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-10-03 US disclosed
WO-2022174193-A1 RADIOLABELED COMPOSITIONS AND METHODS OF USE THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-08-18 WO disclosed
WO-2018141991-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-08-09 WO disclosed
WO-2018141991-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2018-08-09 WO disclosed
US-7414148-B2 Process for producing alkoxycarbonylfluoroalkanesulfonates CENTRAL GLASS COMPANY LIMITED (JP) 2008-08-19 US disclosed
US-20080108846-A1 PROCESS FOR PRODUCING ALKOXYCARBONYLFLUOROALKANESULFONATES CENTRAL GLASS COMPANY, LIMITED (JP) 2008-05-08 US disclosed