⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27994831 | 1.00 | TSHR (0.50) | — | |
| SCHEMBL136719 | 1.00 | — | — | |
| SCHEMBL2351623 | 0.97 | TSHR (0.48) | — | |
| SCHEMBL17818517 | 0.89 | TSHR (0.50) | — | |
| Nitrous Acid SCHEMBL28128691 | 0.87 | TSHR (0.40) | — | |
| SCHEMBL17712501 | 0.80 | ESR2 (0.48) | — | |
| SCHEMBL29543686 | 0.80 | ESR2 (0.48) | — | |
| SCHEMBL3386194 | 0.79 | DYRK1A (0.47) | — | |
| SCHEMBL31032883 | 0.79 | DYRK1A (0.47) | — | |
| Water SCHEMBL19410621 | 0.78 | TSHR (0.63) | — |
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-20240294519-A1 | PYRROLO[2,3-b]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING | EPIRIUM BIO INC. | 2024-09-05 | — | — | US | disclosed |
| EP-4376841-A1 | PYRROLO[2,3-B]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING | Epirium Bio Inc. (US) | 2024-06-05 | — | — | EP | disclosed |
| WO-2023200015-A1 | IRON PHOSPHIDE NANOPARTICLES, AND COMPOSITE BODY AND REDUCTION CATALYST EACH CONTAINING SAME | 国立大学法人大阪大学 | 2023-10-19 | — | — | WO | disclosed |
| WO-2023009642-A1 | PYRROLO[2,3-B]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING | EPIRIUM BIO INC. (US) | 2023-02-02 | — | — | WO | disclosed |