⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15090896 | 0.80 | — | — | |
| SCHEMBL13947053 | 0.76 | — | — | |
| SCHEMBL14702933 | 0.76 | — | — | |
| SCHEMBL28135525 | 0.76 | — | — | |
| SCHEMBL7918952 | 0.76 | — | — | |
| SCHEMBL13778558 | 0.76 | — | — | |
| SCHEMBL13826060 | 0.76 | — | — | |
| SCHEMBL10709484 | 0.74 | — | — | |
| SCHEMBL28441660 | 0.74 | — | — | |
| SCHEMBL29783474 | 0.74 | TSHR (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3835290-B1 | OXADIAZOLINE COMPOUND OR SALT THEREOF, AGRICULTURAL OR HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND USE METHOD THEREFOR | NIHON NOHYAKU CO LTD (JP) | 2023-09-06 | — | — | EP | disclosed |
| EP-3332782-A1 | METHOD OF ACTIVATING REGULATORY T CELLS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS | ALLERGAN, INC. (US) | 2018-06-13 | — | — | EP | disclosed |
| EP-3002281-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2016-04-06 | — | — | EP | disclosed |