⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL139849 | 0.74 | MEN1 (0.39) | — | |
| SCHEMBL2868266 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL27957437 | 0.70 | CYP2A6 (0.48) | — | |
| SCHEMBL25919912 | 0.70 | TSHR (0.44) | — | |
| SCHEMBL24816539 | 0.65 | KIF11 (0.44) | — | |
| SCHEMBL24816536 | 0.65 | KIF11 (0.44) | — | |
| SCHEMBL12640840 | 0.65 | TSHR (0.55) | — | |
| SCHEMBL28032271 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL3813568 | 0.64 | TSHR (0.42) | — | |
| SCHEMBL27438701 | 0.64 | ENPP2 (0.48) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200216471-A1 | SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE | KURA ONCOLOGY, INC. | 2020-07-09 | — | — | US | disclosed |