SCHEMBL9499952

SCHEMBL9499952

COC1(OC)[C@H](O)[C@@H](CS)O[C@]1(n1cc(C)c(=S)[nH]c1=O)C(c1ccccc1)(c1ccccc1)c1ccccc1

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
SCHEMBL1706308 0.82 RNASE1 (0.39)
SCHEMBL7908351 0.79 TK2 (0.35)
SCHEMBL1705943 0.78 TK1 (0.35)
SCHEMBL6756344 0.78 RNASE1 (0.37)
SCHEMBL1705788 0.76 ABCG2 (0.34)
SCHEMBL29414069 0.76 LMNA (0.37)
SCHEMBL3612842 0.76 PYGM (0.38)
SCHEMBL5954363 0.74 TK2 (0.33)
SCHEMBL5031652 0.73
SCHEMBL29414053 0.73 RNASE1 (0.30)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422090-B1 DERIVATIVES OF NUCLEOSIDES WHICH MAY BE USED FOR THE SYNTHESIS OF MARKED OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED FROM THESE DERIVATIVES AND THEIR SYNTHESIS CIS BIO INTERNATIONAL (FR) 1993-06-02 EP disclosed
EP-0422090-A1 DERIVATIVES OF NUCLEOSIDES WHICH MAY BE USED FOR THE SYNTHESIS OF MARKED OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED FROM THESE DERIVATIVES AND THEIR SYNTHESIS. CIS BIO INT (FR) 1991-04-17 EP disclosed
WO-1989012642-A1 DERIVATIVES OF NUCLEOSIDES WHICH MAY BE USED FOR THE SYNTHESIS OF MARKED OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED FROM THESE DERIVATIVES AND THEIR SYNTHESIS CIS BIO INTERNATIONAL (FR) 1989-12-28 WO disclosed