SCHEMBL6168639

SCHEMBL6168639

CC([O])C(O)CO

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
SCHEMBL4391969 0.73
SCHEMBL12139121 0.72 TDP1 (0.53)
E968 SCHEMBL18493349 0.72 TDP1 (0.77)
SCHEMBL50023 0.72
SCHEMBL15456942 0.72 TDP1 (0.53)
SCHEMBL1089459 0.72
SCHEMBL283630 0.72
SCHEMBL60554 0.72
SCHEMBL1926252 0.72
SCHEMBL9765967 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423378-B1 AMINOPYRROLE COMPOUNDS AS ANTIINFLAMMATORY AGENTS HOFFMANN LA ROCHE (CH) 2005-11-09 EP disclosed
EP-1423378-A1 AMINOPYRROLE COMPOUNDS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-02 EP disclosed
US-6696471-B2 P38 MAP KINASE INHIBITORS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS SYNTEX (U.S.A.) LLC 2004-02-24 US disclosed
US-20030130319-A1 Aminopyrrole compounds SYNTEX (U.S.A.) LLC 2003-07-10 US disclosed
WO-2003020715-A1 AMINOPYRROLE COMPOUNDS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-13 WO disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 US disclosed
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-08-01 US disclosed
EP-1218346-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-07-03 EP disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
WO-2001021591-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-29 WO disclosed