⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1783483 | 0.86 | CXCR4 (0.60) | — | |
| SCHEMBL21295283 | 0.83 | ALDH1A1 (0.56) | — | |
| SCHEMBL1831026 | 0.73 | — | — | |
| SCHEMBL18686 | 0.73 | — | — | |
| SCHEMBL525091 | 0.70 | — | — | |
| SCHEMBL1781838 | 0.70 | HIF1A (0.50) | — | |
| SCHEMBL1780930 | 0.70 | — | — | |
| SCHEMBL1782104 | 0.70 | HIF1A (0.50) | — | |
| SCHEMBL20183864 | 0.66 | — | — | |
| SCHEMBL1858371 | 0.65 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10987349-B2 | Antitumor agent and bromodomain inhibitor | FUJIFILM CORPORATION (JP) | 2021-04-27 | — | — | US | disclosed |
| EP-3563851-B1 | ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR | FUJIFILM CORP (JP) | 2021-04-21 | — | — | EP | disclosed |
| EP-3327004-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | FUJIFILM CORP (JP) | 2020-11-04 | — | — | EP | disclosed |
| US-10696637-B2 | Nitrogen-containing heterocyclic compound | FUJIFILM CORPORATION (JP) | 2020-06-30 | — | — | US | disclosed |
| US-10633343-B2 | — | — | 2020-04-28 | — | — | US | disclosed |
| CN-110430878-A | Antitumor agent and bromine structural domain inhibitor | FUJIFILM CORP | 2019-11-08 | — | — | CN | disclosed |
| EP-3563851-A1 | ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR | FUJIFILM Corporation (JP) | 2019-11-06 | — | — | EP | disclosed |
| US-20190314360-A1 | ANTITUMOR AGENT AND BROMODOMAIN INHIBITOR | FUJIFILM CORPORATION (JP) | 2019-10-17 | — | — | US | disclosed |
| US-20190077761-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | FUJIFILM CORPORATION (JP) | 2019-03-14 | — | — | US | disclosed |
| CN-108137505-A | Nitrogen-containing heterocycle compound | 富士胶片株式会社 | 2018-06-08 | — | — | CN | disclosed |
| EP-3327004-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | Fujifilm Corporation (JP) | 2018-05-30 | — | — | EP | disclosed |