⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19635553 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL19618980 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL6107981 | 0.72 | GABRA1 (0.36) | — | |
| SCHEMBL19635547 | 0.70 | EPHX2 (0.33) | — | |
| SCHEMBL19635701 | 0.63 | LMNA (0.34) | — | |
| SCHEMBL679853 | 0.63 | ALDH1A1 (0.31) | — | |
| SCHEMBL19615196 | 0.62 | BRD4 (0.31) | — | |
| SCHEMBL5765319 | 0.61 | GABRA1 (0.35) | — | |
| SCHEMBL8266648 | 0.60 | ARG1 (0.36) | — | |
| SCHEMBL1432852 | 0.60 | NPC1 (0.41) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11492358-B1 | Macrocyclic indole derivatives | THE BROAD INSTITUTE, INC. (US) | 2022-11-08 | — | — | US | disclosed |
| EP-3458459-B1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AG (DE) | 2022-04-27 | — | — | EP | disclosed |
| EP-3458459-B1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AG (DE) | 2022-04-27 | — | — | EP | disclosed |
| CN-109715632-B | Macrocyclic indole derivatives | 拜尔公开股份有限公司 | 2021-10-26 | — | — | CN | disclosed |
| US-10981932-B2 | Macrocyclic indole derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-20 | — | — | US | disclosed |
| US-10981932-B2 | Macrocyclic indole derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 2021-04-20 | — | — | US | disclosed |
| US-20200087322-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2020-03-19 | — | — | US | disclosed |
| WO-2017198341-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2017-11-23 | — | — | WO | disclosed |