⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13646764 | 1.00 | — | — | |
| SCHEMBL15984266 | 0.77 | — | — | |
| SCHEMBL14706921 | 0.77 | — | — | |
| SCHEMBL20844154 | 0.72 | — | — | |
| SCHEMBL20844125 | 0.72 | — | — | |
| SCHEMBL25546849 | 0.70 | — | — | |
| SCHEMBL23731067 | 0.70 | — | — | |
| SCHEMBL23731155 | 0.70 | — | — | |
| SCHEMBL15492999 | 0.69 | — | — | |
| Acetamidine SCHEMBL48895 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11542505-B1 | Substituted RIG-I agonists: compositions and methods thereof | MERCK SHARP & DOHME LLC (US) | 2023-01-03 | — | — | US | disclosed |
| EP-2694505-B1 | HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2022-04-27 | — | — | EP | disclosed |
| US-20210066622-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORPORATION (US) | 2021-03-04 | — | — | US | disclosed |
| WO-2017203395-A1 | CRYSTALLINE FORMS OF TENOFOVIR ALAFENAMIDE HEMI FUMARATE | SHILPA MEDICARE LIMITED (IN) | 2017-11-30 | — | — | WO | disclosed |