⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25096155 | 0.85 | — | — | |
| SCHEMBL23872682 | 0.79 | MMP1 (0.33) | — | |
| SCHEMBL25097309 | 0.79 | — | — | |
| SCHEMBL21789779 | 0.79 | — | — | |
| SCHEMBL21789761 | 0.70 | — | — | |
| SCHEMBL22255173 | 0.69 | — | — | |
| SCHEMBL21789227 | 0.68 | — | — | |
| SCHEMBL23613145 | 0.68 | ALOX5 (0.32) | — | |
| SCHEMBL21789736 | 0.68 | ALOX5 (0.32) | — | |
| SCHEMBL21789742 | 0.68 | ALOX5 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11718626-B2 | Macrocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-11053253-B2 | Macrocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2021-07-06 | — | — | US | disclosed |