SCHEMBL8710440

SCHEMBL8710440

C=CC[N+]1(CC=C)CCC(=O)CC1.COS(=O)(=O)[O-]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
SCHEMBL4091175 0.87 BCHE (0.32)
SCHEMBL8823189 0.84
SCHEMBL3738651 0.79
SCHEMBL3738541 0.76
SCHEMBL4081706 0.75
SCHEMBL3734833 0.75
SCHEMBL3734802 0.74
SCHEMBL3734996 0.73 RECQL (0.33)
Sulfuric Acid SCHEMBL4085938 0.73 SMN1; SMN2 (0.30)
SCHEMBL4083156 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5709815-A Peroxygen bleach composition activated by oxo-piperidinium salts COLGATE PALMOLIVE COMPANY (US) 1998-01-20 US claimed