SCHEMBL1832568

SCHEMBL1832568

O=C([O-])CC(CNCC(=O)O)(CC(=O)[O-])NCC(=O)O.[H+].[H+].[NaH].[NaH]

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
SCHEMBL6746940 0.84 ALDH1A1 (0.31)
SCHEMBL6889572 0.84 ALDH1A1 (0.31)
SCHEMBL1088595 0.84 ALDH1A1 (0.31)
SCHEMBL3765845 0.83 CA4 (0.30)
Water SCHEMBL9151500 0.82 ALDH1A1 (0.30)
SCHEMBL10549264 0.82 ALDH1A1 (0.30)
SCHEMBL221253 0.82 ALDH1A1 (0.32)
SCHEMBL4398018 0.81 CA4 (0.31)
SCHEMBL917184 0.81 CA4 (0.35)
SCHEMBL6310261 0.81 CA4 (0.35)

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-2322161-B1 Composition for preventing and treating odontostomatological pathologies of animals Icf Srl (IT) 2014-12-31 EP claimed
EP-2322161-A1 Composition for preventing and treating odontostomatological pathologies of animals I.C.F. S.r.l. (IT) 2011-05-18 EP claimed
EP-2322161-B1 Composition for preventing and treating odontostomatological pathologies of animals Icf Srl (IT) 2014-12-31 EP disclosed
EP-2322161-A1 Composition for preventing and treating odontostomatological pathologies of animals I.C.F. S.r.l. (IT) 2011-05-18 EP disclosed