SCHEMBL8074436

SCHEMBL8074436

C[C@@H](OC(=O)[C@@H](N)CS)[C@H](N)C(=O)OC[C@H](N)C(=O)OC(=O)CN

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
SCHEMBL17559247 0.86 PTGS1 (0.31)
SCHEMBL6389078 0.81 PTGS1 (0.46)
SCHEMBL5320796 0.79 SLC7A5 (0.33)
SCHEMBL5149928 0.79 PTGS1 (0.44)
SCHEMBL361160 0.79 PTGS1 (0.44)
SCHEMBL7869512 0.78 PTGS1 (0.34)
SCHEMBL8937067 0.77 SLC7A5 (0.43)
SCHEMBL3075848 0.76 PTGS1 (0.43)
SCHEMBL8074429 0.75 PTGS1 (0.39)
SCHEMBL3355716 0.74 P2RY10 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017812-A1 TELOMERE REPEAT BINDING FACTORS AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF THE ROCKEFELLER UNIVERSITY (US) 2000-07-12 EP disclosed
EP-0942982-A1 BACTERIAL ELASTIN BINDING PROTEIN, NUCLEIC ACID SEQUENCE ENCODING SAME AND DIAGNOSTIC AND THERAPEUTIC METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 1999-09-22 EP disclosed
WO-1999015662-A9 TELOMERE REPEAT BINDING FACTORS AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF UNIV ROCKEFELLER (US) 1999-07-08 WO disclosed
WO-1999015662-A1 TELOMERE REPEAT BINDING FACTORS AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF THE ROCKEFELLER UNIVERSITY (US) 1999-04-01 WO disclosed
WO-1998038312-A1 BACTERIAL ELASTIN BINDING PROTEIN, NUCLEIC ACID SEQUENCE ENCODING SAME AND DIAGNOSTIC AND THERAPEUTIC METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 1998-09-03 WO disclosed