⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2632908 | 0.69 | — | — | |
| SCHEMBL27431805 | 0.67 | — | — | |
| SCHEMBL10855044 | 0.67 | — | — | |
| SCHEMBL2406912 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9285711 | 0.67 | — | — | |
| SCHEMBL17495019 | 0.67 | — | — | |
| SCHEMBL23986400 | 0.65 | — | — | |
| SCHEMBL8581041 | 0.63 | DAO (0.56) | — | |
| SCHEMBL29956639 | 0.63 | — | — | |
| SCHEMBL5879704 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023121939-A1 | SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME LLC (US) | 2023-06-29 | — | — | WO | disclosed |
| EP-3814343-B1 | CARDIAC SARCOMERE INHIBITORS | CYTOKINETICS INC (US) | 2023-01-11 | — | — | EP | disclosed |