⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22437490 | 0.80 | NPC1 (0.31) | — | |
| SCHEMBL22436736 | 0.80 | HCAR2 (0.37) | — | |
| SCHEMBL22437521 | 0.78 | RAB9A (0.44) | — | |
| SCHEMBL22436699 | 0.78 | LMNA (0.32) | — | |
| SCHEMBL19615264 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL22436781 | 0.71 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL22436739 | 0.71 | THRA (0.33) | — | |
| SCHEMBL24553583 | 0.70 | NPC1 (0.35) | — | |
| SCHEMBL22436665 | 0.70 | GAA (0.39) | — | |
| SCHEMBL22436678 | 0.68 | THRA (0.38) | — |
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 12 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 |
| CN-111757884-B | Substituted macrocyclic indole derivatives | 拜耳股份公司 | 2023-12-19 | — | — | CN | disclosed |
| US-20230112244-A1 | SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2023-04-13 | — | — | US | disclosed |
| EP-3710456-B1 | MACROCYCLIC INDOLE DERIVATIVES | BROAD INST INC (US) | 2022-09-21 | — | — | EP | disclosed |
| US-11440923-B2 | Substituted macrocyclic indole derivatives | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2022-09-13 | — | — | US | disclosed |
| US-11440923-B2 | Substituted macrocyclic indole derivatives | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2022-09-13 | — | — | US | disclosed |
| US-11401278-B2 | Macrocyclic indole derivatives | THE BROAD INSTITUTE, INC. (US) | 2022-08-02 | — | — | US | disclosed |
| US-20210292341-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2021-09-23 | — | — | US | disclosed |
| US-20210292341-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2021-09-23 | — | — | US | disclosed |
| CN-111757884-A | Substituted macrocyclic indole derivatives | 拜耳股份公司 | 2020-10-09 | — | — | CN | disclosed |
| EP-3710451-A1 | SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES | Bayer Aktiengesellschaft (DE) | 2020-09-23 | — | — | EP | disclosed |
| EP-3710456-A1 | MACROCYCLIC INDOLE DERIVATIVES | The Broad Institute, Inc. (US) | 2020-09-23 | — | — | EP | disclosed |