⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15499259 | 1.00 | — | — | |
| SCHEMBL21180380 | 0.85 | — | — | |
| SCHEMBL24317268 | 0.84 | — | — | |
| SCHEMBL15496988 | 0.82 | — | — | |
| SCHEMBL22081054 | 0.79 | — | — | |
| SCHEMBL1005327 | 0.79 | — | — | |
| SCHEMBL19223431 | 0.79 | — | — | |
| SCHEMBL1005329 | 0.79 | — | — | |
| SCHEMBL27940276 | 0.77 | FFAR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL15573277 | 0.75 | KDM4E (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-11197864-B2 | Pro-drugs of riluzole and their method of use for the treatment of amyotrophic lateral sclerosis | Biohaven Pharmaceutical Holding Company Limited (US) | 2021-12-14 | — | — | US | disclosed |