⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1802227 | 0.77 | — | — | |
| SCHEMBL973895 | 0.75 | — | — | |
| SCHEMBL3431801 | 0.73 | — | — | |
| SCHEMBL27207896 | 0.73 | — | — | |
| SCHEMBL117522 | 0.73 | — | — | |
| SCHEMBL1066718 | 0.73 | — | — | |
| SCHEMBL2724801 | 0.73 | SLC22A6 (0.40) | — | |
| SCHEMBL27637668 | 0.73 | — | — | |
| SCHEMBL7756304 | 0.71 | TP53 (0.33) | — | |
| SCHEMBL10884481 | 0.71 | — | — |
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-3368527-A1 | PALBOCICLIB SALTS | Egis Gyógyszergyár Zrt. (HU) | 2018-09-05 | — | — | EP | disclosed |
| WO-2017072543-A1 | PALBOCICLIB SALTS | EGIS GYÓGYSZERGYÁR ZRT. (HU) | 2017-05-04 | — | — | WO | disclosed |