⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL822046 | 0.75 | — | — | |
| SCHEMBL182503 | 0.75 | — | — | |
| SCHEMBL29951998 | 0.65 | — | — | |
| SCHEMBL30579589 | 0.62 | — | — | |
| SCHEMBL28632263 | 0.62 | — | — | |
| SCHEMBL3262150 | 0.62 | — | — | |
| SCHEMBL5176792 | 0.59 | — | — | |
| SCHEMBL5513421 | 0.58 | CA9 (0.53) | — | |
| SCHEMBL19667454 | 0.58 | ADRA2A (0.46) | — | |
| SCHEMBL29495591 | 0.58 | ADRA2A (0.46) | — |
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-2010005528-A2 | PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES | IRONWOOD PHARMACEUTICALS INCORPORATED (US) | 2010-01-14 | — | — | WO | claimed |
| CN-107641114-B | Compound as isocitrate dehydrogenase inhibitor and application thereof | 南京圣和药业股份有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-109890806-B | Compound as isocitrate dehydrogenase inhibitor and application thereof | 南京圣和药业股份有限公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-106458985-A | 6-heteroaryloxy-and 6-aryloxy-quinoline-2-carboxamides and their use | 艾伯维公司 | 2017-02-22 | — | — | CN | disclosed |