⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24982602 | 0.77 | — | — | |
| SCHEMBL149393 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL16760976 | 0.74 | — | — | |
| SCHEMBL9418943 | 0.74 | SLC1A1 (0.70) | — | |
| SCHEMBL2943922 | 0.71 | TDP1 (0.32) | — | |
| Acetic Acid SCHEMBL8585948 | 0.69 | SLC1A1 (0.50) | — | |
| Acetic Acid SCHEMBL15055605 | 0.69 | SLC1A1 (0.50) | — | |
| Acetic Acid SCHEMBL4056123 | 0.69 | SLC1A1 (0.50) | — | |
| Acetic Acid SCHEMBL15055675 | 0.69 | SLC1A1 (0.50) | — | |
| SCHEMBL36647 | 0.67 | — | — |
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-2021005912-A1 | POLYURETHANE AND CURABLE COMPOSITION | 日本ポリテック株式会社 | 2021-01-14 | — | — | WO | disclosed |