⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL247 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL27664674 | 0.95 | — | — | |
| Potassium SCHEMBL4796489 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL28019455 | 0.95 | — | — | |
| Calcium SCHEMBL31006618 | 0.95 | — | — | |
| Acetic Acid SCHEMBL27711821 | 0.86 | MAPK1 (0.32) | — | |
| SCHEMBL5860159 | 0.86 | TSHR (0.45) | — | |
| SCHEMBL28178662 | 0.83 | — | — | |
| Morpholine SCHEMBL27664649 | 0.79 | POLB (0.33) | — | |
| SCHEMBL28135841 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116555790-A | 3-nitro-1, 2, 4-triazole copper-based energetic complex and preparation method thereof | 南京理工大学 | 2023-08-08 | — | — | CN | disclosed |