⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9718005 | 0.73 | — | — | |
| SCHEMBL21450784 | 0.72 | — | — | |
| SCHEMBL9593797 | 0.68 | — | — | |
| SCHEMBL29027361 | 0.67 | TDP1 (0.36) | — | |
| SCHEMBL22803239 | 0.66 | — | — | |
| SCHEMBL11680124 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL3271682 | 0.64 | — | — | |
| SCHEMBL98031 | 0.61 | TSHR (0.35) | — | |
| SCHEMBL19779354 | 0.61 | — | — | |
| SCHEMBL23289802 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3912973-A2 | SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE | Dana-Farber Cancer Institute, Inc. (US) | 2021-11-24 | — | — | EP | disclosed |
| EP-3536687-A1 | SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE | Dana Farber Cancer Institute, Inc. (US) | 2019-09-11 | — | — | EP | disclosed |
| EP-3150593-A1 | SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE | Dana Farber Cancer Institute, Inc. (US) | 2017-04-05 | — | — | EP | disclosed |