⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12943115 | 1.00 | — | — | |
| SCHEMBL17130439 | 0.92 | — | — | |
| SCHEMBL11778128 | 0.87 | TSHR (0.31) | — | |
| SCHEMBL17813093 | 0.85 | CA12 (0.31) | — | |
| SCHEMBL1472445 | 0.81 | — | — | |
| SCHEMBL3881630 | 0.81 | — | — | |
| SCHEMBL3113278 | 0.77 | — | — | |
| SCHEMBL2948865 | 0.77 | — | — | |
| SCHEMBL4537329 | 0.77 | — | — | |
| SCHEMBL23128780 | 0.75 | LMNA (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7674787-B2 | Conformationally constrained Smac mimetics and the uses thereof | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2010-03-09 | — | — | US | disclosed |
| US-20080132485-A1 | Conformationally Constrained Smac Mimetics And The Uses Thereof | THE REGENTS OF THE UNIVERSITY OF MICHIGAN | 2008-06-05 | — | — | US | disclosed |