⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23733654 | 1.00 | — | — | |
| SCHEMBL25927659 | 0.87 | — | — | |
| SCHEMBL25927656 | 0.87 | — | — | |
| SCHEMBL23872436 | 0.87 | — | — | |
| SCHEMBL23872441 | 0.84 | — | — | |
| SCHEMBL25955004 | 0.84 | — | — | |
| SCHEMBL21789872 | 0.82 | — | — | |
| SCHEMBL25097380 | 0.82 | — | — | |
| SCHEMBL23872701 | 0.82 | — | — | |
| SCHEMBL25939078 | 0.82 | — | — |
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-20210300934-A1 | MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS | ACHILLION PHARMACEUTICALS, INC. | 2021-09-30 | — | — | US | disclosed |
| US-11084800-B2 | Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2021-08-10 | — | — | US | disclosed |