⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31564118 | 0.75 | — | — | |
| SCHEMBL3319778 | 0.70 | — | — | |
| SCHEMBL1903027 | 0.65 | — | — | |
| SCHEMBL3630049 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL207437 | 0.57 | — | — | |
| SCHEMBL10878614 | 0.57 | — | — | |
| SCHEMBL31511771 | 0.52 | — | — | |
| SCHEMBL4676507 | 0.52 | — | — | |
| SCHEMBL19569409 | 0.47 | — | — | |
| SCHEMBL4221776 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025097104-A1 | THIENYL COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER | PGI DRUG DISCOVERY LLC (US) | 2025-05-08 | — | — | WO | claimed |