⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6898883 | 0.97 | — | — | |
| SCHEMBL1241816 | 0.85 | — | — | |
| SCHEMBL22117201 | 0.84 | — | — | |
| SCHEMBL22117206 | 0.84 | — | — | |
| SCHEMBL22117213 | 0.82 | CA2 (0.32) | — | |
| Iodide SCHEMBL9422924 | 0.82 | TSHR (0.37) | — | |
| Hydrochloric Acid SCHEMBL1423725 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL22117229 | 0.80 | CA1 (0.34) | — | |
| SCHEMBL7764116 | 0.80 | CA1 (0.34) | — | |
| Diethanolamine SCHEMBL7037644 | 0.78 | TSHR (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 8 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 |
| US-8063042-B2 | Heterocyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| EP-2220055-A2 | NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-08-25 | — | — | EP | disclosed |
| US-20090023713-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2009-01-22 | — | — | US | disclosed |
| WO-2009010429-A2 | NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-01-22 | — | — | WO | disclosed |