SCHEMBL7077475

SCHEMBL7077475

COC1CCC(COCCCS(=O)(=O)CC(CCCN2C(=O)N(C)C(C)(C)C2=O)C(=O)OC(C)(C)C)CC1

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
SCHEMBL7078051 0.90 MMP2 (0.30)
SCHEMBL7217222 0.88 MMP13 (0.38)
SCHEMBL7074693 0.85
SCHEMBL7078959 0.76 PLA2G7 (0.34)
SCHEMBL7221727 0.70 MMP2 (0.37)
SCHEMBL7078769 0.69 MMP2 (0.36)
SCHEMBL6945448 0.67 MMP2 (0.39)
SCHEMBL7215123 0.67 MMP2 (0.35)
Hydrochloric Acid SCHEMBL7425983 0.67 MMP2 (0.38)
SCHEMBL7075518 0.66

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
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US disclosed