SCHEMBL21729545

SCHEMBL21729545

Nc1c(Br)c(C2CC2)cc2c1CCC2

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
SCHEMBL29574395 1.00
SCHEMBL21962348 0.81 UGT2B17 (0.32)
SCHEMBL21962225 0.76 MEN1 (0.36)
SCHEMBL21722857 0.74 ACHE (0.33)
SCHEMBL21962247 0.73 GRIN2D (0.45)
SCHEMBL25201444 0.73 HTR2C (0.36)
SCHEMBL30365888 0.73 ACHE (0.35)
SCHEMBL23012452 0.73 KDM1A (0.32)
SCHEMBL29284972 0.73 ACHE (0.35)
SCHEMBL30042166 0.73 HTR2C (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112888675-A Novel sulfonylurea compound 英夫拉索姆有限公司 2021-06-01 CN disclosed
WO-2020035466-A1 NOVEL SULFONEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2020-02-20 WO disclosed