⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1550459 | 0.93 | — | — | |
| SCHEMBL5745575 | 0.77 | — | — | |
| SCHEMBL31147305 | 0.75 | — | — | |
| SCHEMBL7950554 | 0.75 | — | — | |
| SCHEMBL7452334 | 0.74 | ADH1B (0.39) | — | |
| SCHEMBL1327666 | 0.73 | — | — | |
| SCHEMBL4131092 | 0.71 | KMT2A (0.30) | — | |
| SCHEMBL31147342 | 0.70 | — | — | |
| SCHEMBL31147619 | 0.70 | — | — | |
| SCHEMBL12354430 | 0.69 | — | — |
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-2025035205-A1 | PHARMACEUTICAL COMBINATIONS COMPRISING A SUBSTITUTED THIOPHENE FUSED CYCLOHEXANONE DERIVATIVE AND A CYCLOOXYGENASE (COX) INHIBITOR, AND THEIR USE FOR THE TREATMENT OF PAIN | NEURASIC THERAPEUTICS INC. (CA) | 2025-02-20 | — | — | WO | disclosed |