⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12948549 | 0.73 | — | — | |
| SCHEMBL19122396 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL9936537 | 0.67 | TRPA1 (0.31) | — | |
| SCHEMBL3033734 | 0.65 | — | — | |
| SCHEMBL21503759 | 0.65 | — | — | |
| SCHEMBL3033732 | 0.65 | — | — | |
| SCHEMBL15935811 | 0.65 | — | — | |
| SCHEMBL2787056 | 0.65 | — | — | |
| SCHEMBL23126419 | 0.64 | — | — | |
| SCHEMBL8140025 | 0.61 | — | — |
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-2024102989-A1 | NON-PEPTIDIC SARS-COV-2 MAIN PROTEASE INHIBITORS | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2024-05-16 | — | — | WO | disclosed |
| WO-2019021059-A1 | INDOLE DERIVATIVES AND USES THEREOF | NOVARTIS AG (CH) | 2019-01-31 | — | — | WO | disclosed |