SCHEMBL7816873

SCHEMBL7816873

O=[N+]([O-])OCC1CC[CH]CN1

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
SCHEMBL7816856 0.75 MMP2 (0.31)
SCHEMBL8297646 0.73 CHRNA3 (0.38)
SCHEMBL7817737 0.72 MMP2 (0.35)
SCHEMBL24591445 0.71 LTA4H (0.40)
SCHEMBL7810422 0.71 ALDH1A1 (0.32)
SCHEMBL7819136 0.69 MMP2 (0.31)
SCHEMBL7821671 0.67 MMP2 (0.33)
SCHEMBL40277 0.66
SCHEMBL7819246 0.66 CA12 (0.34)
SCHEMBL7808528 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798298-B1 THIAZOLIDINONE OR OXAZOLIDINONE DERIVATIVES TO TREAT ANGINA PECTORIS OR COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENT SANKYO CO (JP) 2001-08-08 EP disclosed
US-5843973-A Thiazolidinone compounds and composition for angina pectoris comprising the compounds as an active ingredient SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
EP-0798298-A1 THIAZOLIDINONE COMPOUNDS OR ANGINA PECTORIS REMEDY OR PREVENTIVE CONTAINING THE SAME AS ACTIVE INGREDIENT SANKYO COMPANY LIMITED (JP) 1997-10-01 EP disclosed