⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22117213 | 0.93 | CA2 (0.32) | — | |
| SCHEMBL22117229 | 0.91 | CA1 (0.34) | — | |
| SCHEMBL7764116 | 0.91 | CA1 (0.34) | — | |
| SCHEMBL22117189 | 0.90 | ALDH1A1 (0.36) | — | |
| SCHEMBL22117236 | 0.88 | TSHR (0.37) | — | |
| SCHEMBL22117208 | 0.86 | TSHR (0.41) | — | |
| SCHEMBL22117244 | 0.86 | TSHR (0.41) | — | |
| SCHEMBL22117200 | 0.86 | TSHR (0.41) | — | |
| SCHEMBL1344675 | 0.84 | — | — | |
| SCHEMBL22117197 | 0.83 | ALDH1A1 (0.35) | — |
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-20220071971-A1 | MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2022-03-10 | — | — | US | disclosed |
| EP-3898621-A1 | MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE | Novartis AG (CH) | 2021-10-27 | — | — | EP | disclosed |
| CN-113227087-A | Macrocyclic compounds and their use in the treatment of disease | 诺华股份有限公司 | 2021-08-06 | — | — | CN | disclosed |
| WO-2020128925-A1 | MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2020-06-25 | — | — | WO | disclosed |
| WO-2020128925-A1 | MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2020-06-25 | — | — | WO | disclosed |