SCHEMBL4254567

SCHEMBL4254567

C=CC[N]C(=O)OO

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
SCHEMBL7359482 0.78
SCHEMBL4033322 0.76 CYP3A4 (0.39)
SCHEMBL7535237 0.75
SCHEMBL557457 0.73 ALDH1A1 (0.35)
SCHEMBL628091 0.70
SCHEMBL6190437 0.70
SCHEMBL251766 0.69
SCHEMBL594094 0.69
SCHEMBL9603476 0.69
SCHEMBL31385 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090226411-A1 CHEMICAL DERIVATIVES AND THEIR APPLICATION AS ANTITELOMERASE AGENTS AVENTIS PHARMA S.A. (FR) 2009-09-10 US claimed
US-7482352-B2 Chemical derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2009-01-27 US claimed
US-6887873-B2 Triazine derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2005-05-03 US claimed
US-20050070571-A1 Chemical derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2005-03-31 US claimed
EP-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed