SCHEMBL4436719

SCHEMBL4436719

[CH2]COCC(O)C(C)O

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
SCHEMBL8884307 0.83 HSD17B10 (0.38)
SCHEMBL35950 0.78
SCHEMBL28295731 0.76
SCHEMBL15999568 0.72 HSD17B10 (0.65)
SCHEMBL13732984 0.72
SCHEMBL19305 0.71
SCHEMBL27760 0.70 LMNA (0.52)
SCHEMBL5599446 0.70 USP2 (0.45)
SCHEMBL2542376 0.70 HSD17B10 (0.39)
SCHEMBL4190791 0.69

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
CN-101801972-A Pyrazolo [1,5-A]pyrimidines as inhibitors of stearoyl-coA desaturase INOVACIA AB 2010-08-11 CN disclosed
EP-2137187-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE Inovacia AB (SE) 2009-12-30 EP disclosed
US-20080255153-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-10-16 US disclosed
WO-2008116898-A1 PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE BIOVITRUM AB (PUBL) (SE) 2008-10-02 WO disclosed