⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27390278 | 0.94 | — | — | |
| SCHEMBL12820355 | 0.92 | HDAC8 (0.61) | — | |
| SCHEMBL11860408 | 0.92 | HDAC8 (0.61) | — | |
| SCHEMBL13476038 | 0.88 | HDAC8 (0.42) | — | |
| SCHEMBL10139268 | 0.88 | — | — | |
| SCHEMBL23936791 | 0.80 | ULK1 (0.41) | — | |
| SCHEMBL23936853 | 0.80 | ULK1 (0.41) | — | |
| SCHEMBL18938813 | 0.77 | POLB (0.54) | — | |
| SCHEMBL14537066 | 0.77 | HDAC1 (0.37) | — | |
| SCHEMBL11291275 | 0.77 | HDAC8 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021032209-A1 | ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF | 四川海思科制药有限公司 | 2021-02-25 | — | — | WO | disclosed |
| US-9700559-B2 | Compounds and compositions for the treatment of parasitic diseases | NOVARTIS AG (CH) | 2017-07-11 | — | — | US | disclosed |