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SCHEMBL8199262

SCHEMBL8199262

O=C(O)c1c2c(c([C](c3c4c(c(C(=O)O)c5c3SC(CO)(CO)S5)SC(CO)(CO)S4)c3c4c(c(C(=O)O)c5c3SC(CO)(CO)S5)SC(CO)(CO)S4)c3c1SC(CO)(CO)S3)SC(CO)(CO)S2

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
SCHEMBL4570291 0.83 — —
SCHEMBL29462115 0.73 FABP3 (0.30) —
SCHEMBL15185014 0.68 — —
SCHEMBL7134328 0.65 — —
Mellitic Acid SCHEMBL23507 0.56 CYP1A2 (0.50) —
Mellitic Acid SCHEMBL22971 0.56 CYP1A2 (0.50) —
SCHEMBL28686364 0.54 CYP1A2 (0.36) —
Mellitic Acid SCHEMBL28353323 0.53 CYP1A2 (0.47) —
Mellitic Acid SCHEMBL29638026 0.53 CYP1A2 (0.47) —
Mellitic Acid SCHEMBL28360695 0.53 CYP1A2 (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832054-B1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING AS (NO) 2000-12-27 — — EP claimed
WO-1996039367-A1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING A/S (NO) 1996-12-12 — — WO claimed
EP-0832054-B1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING AS (NO) 2000-12-27 — — EP disclosed
WO-1996039367-A1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING A/S (NO) 1996-12-12 — — WO disclosed