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SCHEMBL15080485

SCHEMBL15080485

CC[C@H](C)[C@H](N=[N+]=[N-])C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](O)c1nc(C(=O)O)cs1)C(C)C

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
SCHEMBL15080493 0.93 — —
SCHEMBL15080494 0.92 ABCB1 (0.32) —
SCHEMBL13618634 0.92 ABCB1 (0.32) —
SCHEMBL15865697 0.86 — —
SCHEMBL14023064 0.86 — —
SCHEMBL15297060 0.86 — —
SCHEMBL15381959 0.85 — —
SCHEMBL15372798 0.85 — —
SCHEMBL23416462 0.85 ABCB1 (0.32) —
SCHEMBL19455910 0.85 ABCB1 (0.32) —

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-8476451-B2 Tubulysin D analogues THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-02 — — US disclosed
US-8476451-B2 Tubulysin D analogues THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-02 — — US disclosed
US-20110263650-A1 Tubulysin D Analogues HELMHOLTZ-ZENTRUM FÜR INFEKTIONS-FORSCHUNG GMBH (DE) 2011-10-27 — — US disclosed
US-20110263650-A1 Tubulysin D Analogues HELMHOLTZ-ZENTRUM FÜR INFEKTIONS-FORSCHUNG GMBH (DE) 2011-10-27 — — US disclosed
US-20110021568-A1 TUBULYSIN D ANALOGUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 — — US disclosed
US-20110021568-A1 TUBULYSIN D ANALOGUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 — — US disclosed