⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25461721 | 1.00 | — | — | |
| SCHEMBL25461863 | 0.85 | ADORA2A (0.33) | — | |
| SCHEMBL25167213 | 0.80 | — | — | |
| SCHEMBL30142441 | 0.80 | — | — | |
| SCHEMBL25167212 | 0.80 | — | — | |
| SCHEMBL25461861 | 0.74 | — | — | |
| SCHEMBL16374237 | 0.72 | MAP4K1 (0.30) | — | |
| SCHEMBL16339681 | 0.72 | MAP4K1 (0.30) | — | |
| SCHEMBL16374239 | 0.72 | MAP4K1 (0.30) | — | |
| SCHEMBL25461759 | 0.72 | ALDH1A1 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230148005-A1 | MACROCYCLIC COMPOUNDS AND USES THEREOF | THESEUS PHARMACEUTICALS, INC. | 2023-05-11 | — | — | US | disclosed |