⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL867771 | 0.71 | LMNA (0.46) | — | |
| SCHEMBL10788203 | 0.69 | ABCB11 (0.35) | — | |
| SCHEMBL1070822 | 0.69 | LMNA (0.41) | — | |
| Hydrochloric Acid SCHEMBL362711 | 0.68 | LMNA (0.42) | — | |
| SCHEMBL8102866 | 0.68 | LMNA (0.42) | — | |
| Hydrochloric Acid SCHEMBL868414 | 0.68 | LMNA (0.42) | — | |
| SCHEMBL28036623 | 0.68 | LMNA (0.42) | — | |
| Water SCHEMBL31646391 | 0.68 | LMNA (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL5386563 | 0.68 | LMNA (0.42) | — | |
| SCHEMBL28225917 | 0.68 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3298005-A2 | ANTI-CANCER COMPOUNDS | The Regents of The University of California (US) | 2018-03-28 | — | — | EP | disclosed |
| WO-2016187620-A2 | ANTI-CANCER COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-11-24 | — | — | WO | disclosed |