⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24159337 | 0.86 | — | — | |
| SCHEMBL24158818 | 0.82 | ADH1B (0.31) | — | |
| SCHEMBL19992504 | 0.78 | ADH1B (0.38) | — | |
| SCHEMBL23033238 | 0.75 | — | — | |
| SCHEMBL22296419 | 0.74 | EPHX2 (0.33) | — | |
| SCHEMBL24015029 | 0.72 | — | — | |
| SCHEMBL21765591 | 0.71 | — | — | |
| SCHEMBL24006562 | 0.71 | — | — | |
| SCHEMBL23233162 | 0.71 | — | — | |
| SCHEMBL24006565 | 0.70 | — | — |
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 4 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-20200331870-A1 | MCL-1 INHIBITORS | GILEAD SCIENCES, INC. | 2020-10-22 | — | — | US | disclosed |
| US-10774053-B2 | HIV protease inhibitors | GILEAD SCIENCES, INC. (US) | 2020-09-15 | — | — | US | disclosed |
| US-20190210978-A1 | HIV PROTEASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2019-07-11 | — | — | US | disclosed |