⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23037412 | 1.00 | — | — | |
| SCHEMBL8076557 | 0.80 | — | — | |
| SCHEMBL7128088 | 0.80 | — | — | |
| SCHEMBL7903222 | 0.77 | — | — | |
| SCHEMBL20315233 | 0.77 | — | — | |
| SCHEMBL20315239 | 0.77 | — | — | |
| SCHEMBL23882501 | 0.76 | MAPK1 (0.31) | — | |
| SCHEMBL16154386 | 0.76 | — | — | |
| SCHEMBL23882500 | 0.76 | MAPK1 (0.31) | — | |
| SCHEMBL839514 | 0.76 | MAPK1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12129258-B2 | Diaryl macrocyclic compound and pharmaceutical composition, and use thereof | PRIMEGENE (BEIJING) CO., LTD (CN) | 2024-10-29 | — | — | US | disclosed |
| EP-3786167-B1 | DIARYL MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, AND USE THEREOF | PRIMEGENE BEIJING CO LTD (CN) | 2024-08-21 | — | — | EP | disclosed |
| CN-111902417-B | Diaryl macrocyclic compound, pharmaceutical composition and application thereof | 北京普祺医药科技股份有限公司 | 2023-07-28 | — | — | CN | disclosed |
| US-20220162218-A1 | DIARYL MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, AND USE THEREOF | PRIMEGENE (BEIJING) CO., LTD. (CN) | 2022-05-26 | — | — | US | disclosed |
| EP-3786167-A1 | DIARYL MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, AND USE THEREOF | Primegene (Beijing) Co., Ltd. (CN) | 2021-03-03 | — | — | EP | disclosed |
| CN-111902417-A | Diaryl macrocycle compound, pharmaceutical composition and application thereof | 北京普祺医药科技有限公司 | 2020-11-06 | — | — | CN | disclosed |