SCHEMBL2913590

SCHEMBL2913590

CC[C@@H]([NH])CCO

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
SCHEMBL11874595 1.00
SCHEMBL7245797 0.79
SCHEMBL103340 0.73
SCHEMBL11874019 0.73
SCHEMBL752513 0.73
SCHEMBL360463 0.73
SCHEMBL2910830 0.73
SCHEMBL106581 0.71
SCHEMBL9579002 0.71
SCHEMBL10867819 0.71

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-1348707-B1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy USTAV EX BOTAN AV CR V V I I O (CZ) 2010-08-25 EP disclosed
EP-1244668-B1 PURINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE THEREOF UNIVERSITAIRE INSTELLING ANTWE (BE) 2006-04-05 EP disclosed
EP-1348707-A1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy Ustav Experimentalni Botaniky AV CR (Institute of Experimental Botany Academy of Sciences of the Czech Republic) (CZ) 2003-10-01 EP disclosed
EP-1147108-B1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF USTAV EX BOTAN AKADEMIE VED CE (CZ) 2003-08-13 EP disclosed