⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL240329 | 0.85 | — | — | |
| SCHEMBL13539003 | 0.76 | CA1 (0.50) | — | |
| Trifluoromethanesulfonamide SCHEMBL130 | 0.75 | — | — | |
| SCHEMBL26864 | 0.75 | — | — | |
| Trifluoromethanesulfonamide SCHEMBL29042995 | 0.75 | CA2 (1.00) | — | |
| Trifluoromethanesulfonamide SCHEMBL6602452 | 0.75 | — | — | |
| Trifluoromethanesulfonamide SCHEMBL23573920 | 0.72 | — | — | |
| SCHEMBL24798092 | 0.72 | — | — | |
| Ethane SCHEMBL4974014 | 0.72 | CA1 (0.44) | — | |
| Trifluoromethanesulfonamide SCHEMBL25437849 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250289828-A1 | MEDIUM- OR MACRO-CYCLIC BENZYL-SUBSTITUTED HETEROCYCLE DERIVATIVES AND RELATED USES | CENTESSA PHARMACEUTICALS UK LTD (GB) | 2025-09-18 | — | — | US | disclosed |
| US-20250236629-A1 | MEDIUM- OR MACRO-CYCLIC BENZYL-SUBSTITUTED HETEROCYCLE DERIVATIVES AND RELATED USES | OXFORD FINANCE LLC | 2025-07-24 | — | — | US | disclosed |
| WO-2020119864-A1 | CALIX[N]ARENE DERIVATIVES FOR COMPLEXING ALKALINE EARTH METAL CATIONS | HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF E.V. (DE) | 2020-06-18 | — | — | WO | disclosed |