SCHEMBL21046331

SCHEMBL21046331

CC(O)(C(F)F)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)NO

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
SCHEMBL15227416 1.00 — —
SCHEMBL15235778 1.00 — —
SCHEMBL19262730 0.95 — —
SCHEMBL15227816 0.91 — —
SCHEMBL257787 0.91 — —
SCHEMBL15235797 0.90 MEN1 (0.41) —
SCHEMBL254744 0.90 CTSL (0.40) —
SCHEMBL15228067 0.90 — —
SCHEMBL255359 0.90 RARB (0.43) —
SCHEMBL15227736 0.90 RARB (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12103904-B2 Benzoylglycine derivatives and methods of making and using same DUKE UNIVERSITY (US) 2024-10-01 — — US disclosed
EP-4286001-A2 BENZOYLGLYCINE DERIVATIVES AND METHODS OF MAKING AND USING SAME Duke University (US) 2023-12-06 — — EP disclosed
EP-3448375-B1 BENZOYLGLYCINE DERIVATIVES AND METHODS OF MAKING AND USING SAME UNIV DUKE (US) 2023-09-27 — — EP disclosed
US-20210206715-A1 Benzoylglycine Derivatives and Methods of Making and Using Same DUKE UNIVERSITY (US) 2021-07-08 — — US disclosed
US-11034649-B2 Benzoylglycine derivatives and methods of making and using same DUKE UNIVERSITY (US) 2021-06-15 — — US disclosed
US-10550074-B2 Benzoylglycine derivatives and methods of making and using same DUKE UNIVERSITY (US) 2020-02-04 — — US disclosed
US-20190169114-A1 Benzoylglycine Derivatives and Methods of Making and Using Same DUKE UNIVERSITY 2019-06-06 — — US disclosed
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