SCHEMBL5934571

SCHEMBL5934571

CC[C@@]1(C(=O)O)C[C@@]1(Br)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
SCHEMBL5934305 1.00
SCHEMBL8467424 0.78
SCHEMBL4031275 0.74 FFAR3 (0.35)
SCHEMBL4031277 0.74 FFAR3 (0.35)
SCHEMBL8615746 0.70
SCHEMBL13688280 0.69 FFAR3 (0.41)
SCHEMBL9639839 0.69 NPSR1 (0.32)
SCHEMBL9784921 0.69 NPSR1 (0.32)
SCHEMBL11522215 0.67 FFAR3 (0.35)
SCHEMBL21950869 0.66 CYP2C19 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122203-A1 2-Hydroxymethylcyclopropylidenemethylpurines and - pyrimidines as antiviral agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-06-08 US disclosed
US-6958345-B2 2-hydroxymethylcyclopropylidene methylpurines and -pyrimidines as antiviral agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-10-25 US disclosed
US-20050009842-A1 2-hydroxymethylcyclopropylidene methylpurines and -pyrimidines as antiviral agents NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-01-13 US disclosed
US-6790841-B2 FOR THERAPY OF MAMMAL INFECTED WITH VIRUS WAYNE STATE UNIVERSITY 2004-09-14 US disclosed
US-20020193353-A1 2-hydroxymethylcyclopropylidenemethylpurines and -pyrimidines as antiviral agents WAYNE STATE UNIVERSITY 2002-12-19 US disclosed
US-6352991-B1 VIRICIDES FOR TREATMENT OF AIDS WAYNE STATE UNIVERSITY 2002-03-05 US disclosed