⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13079691 | 0.79 | ARG1 (0.33) | — | |
| SCHEMBL731198 | 0.73 | — | — | |
| SCHEMBL18869837 | 0.72 | GRM2 (0.52) | — | |
| SCHEMBL8096607 | 0.70 | — | — | |
| SCHEMBL8096834 | 0.70 | — | — | |
| SCHEMBL20205866 | 0.70 | GRIN2D (0.30) | — | |
| SCHEMBL19300202 | 0.67 | — | — | |
| SCHEMBL13123342 | 0.67 | — | — | |
| SCHEMBL8215768 | 0.63 | — | — | |
| SCHEMBL2065892 | 0.63 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE49687-E1 | Thienopyrimidine and thienopyridine compounds and methods of use thereof | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2023-10-10 | — | — | US | disclosed |
| US-11649251-B2 | Substituted inhibitors of menin-MLL and methods of use | KURA ONCOLOGY, INC. (US) | 2023-05-16 | — | — | US | disclosed |
| US-20200216471-A1 | SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE | KURA ONCOLOGY, INC. | 2020-07-09 | — | — | US | disclosed |