SCHEMBL221848

SCHEMBL221848

NCCC[C@H](N)C(=O)Br

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
SCHEMBL28800255 0.93 GSR (0.64)
SCHEMBL8936119 0.93 GSR (0.64)
D-Ornithine SCHEMBL1537220 0.77 GSR (0.86)
SCHEMBL57939 0.77
Ornithine Aketoglutarate SCHEMBL8578 0.77
SCHEMBL10402942 0.77
SCHEMBL9227620 0.77
D-Ornithine SCHEMBL43724 0.77
Ornithine SCHEMBL624782 0.77 GSR (0.86)
Ornithine Aketoglutarate SCHEMBL1326163 0.77 GSR (0.86)

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
EP-2400957-A2 A CONTROLLED RELEASE MICRO-CAPSULE FOR OSTEOGENIC ACTION Council of Scientific & Industrial Research (IN) 2012-01-04 EP disclosed
WO-2010097814-A2 A CONTROLLED RELEASE MICRO-CAPSULE FOR OSTEOGENIC ACTION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO disclosed