⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18262218 | 0.84 | — | — | |
| SCHEMBL22436716 | 0.78 | — | — | |
| SCHEMBL490276 | 0.75 | — | — | |
| SCHEMBL24357923 | 0.69 | DPP4 (0.30) | — | |
| SCHEMBL20262764 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL21248058 | 0.65 | — | — | |
| SCHEMBL22769408 | 0.65 | — | — | |
| SCHEMBL90095 | 0.65 | — | — | |
| SCHEMBL24372277 | 0.65 | DPP4 (0.30) | — | |
| SCHEMBL13659925 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11891404-B2 | Substituted macrocyclic indole derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 2024-02-06 | — | — | US | disclosed |
| US-20230112244-A1 | SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2023-04-13 | — | — | US | disclosed |
| US-11440923-B2 | Substituted macrocyclic indole derivatives | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2022-09-13 | — | — | US | disclosed |
| WO-2020236556-A1 | METHODS OF PREPARING MACROCYCLIC INDOLES | THE BROAD INSTITUTE, INC. (US) | 2020-11-26 | — | — | WO | disclosed |
| EP-3710451-A1 | SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES | Bayer Aktiengesellschaft (DE) | 2020-09-23 | — | — | EP | disclosed |