⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4104466 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL9513461 | 0.72 | — | — | |
| SCHEMBL4451878 | 0.72 | — | — | |
| SCHEMBL19210077 | 0.70 | — | — | |
| SCHEMBL5598058 | 0.68 | — | — | |
| SCHEMBL11150196 | 0.67 | — | — | |
| SCHEMBL9497771 | 0.65 | ALDH1A1 (0.47) | — | |
| Nitroethane SCHEMBL49993 | 0.65 | TSHR (0.73) | — | |
| SCHEMBL27575251 | 0.65 | — | — | |
| SCHEMBL9452595 | 0.65 | TSHR (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3941206-A1 | NEW USES OF A MUTATED LACTONASE, AND COMPOSITIONS | Fondation Méditerranée Infection (FR) | 2022-01-26 | — | — | EP | claimed |
| WO-2020187861-A1 | NEW USES OF A MUTATED LACTONASE, AND COMPOSITIONS | FONDATION MEDITERRANEE INFECTION (FR) | 2020-09-24 | — | — | WO | claimed |
| WO-2023156432-A1 | NOVEL MUTATED LACTONASE ENZYMES, COMPOSITIONS CONTAINING THEM AND USES THEREOF | GENE AND GREEN TK (FR) | 2023-08-24 | — | — | WO | disclosed |
| EP-3941206-A1 | NEW USES OF A MUTATED LACTONASE, AND COMPOSITIONS | Fondation Méditerranée Infection (FR) | 2022-01-26 | — | — | EP | disclosed |
| WO-2020187861-A1 | NEW USES OF A MUTATED LACTONASE, AND COMPOSITIONS | FONDATION MEDITERRANEE INFECTION (FR) | 2020-09-24 | — | — | WO | disclosed |