⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL215724 | 0.64 | PI4KA (0.46) | — | |
| Hydrochloric Acid SCHEMBL1741651 | 0.63 | PI4KA (0.44) | — | |
| Hydrochloric Acid SCHEMBL14742344 | 0.63 | PI4KA (0.44) | — | |
| Hydrochloric Acid SCHEMBL2247692 | 0.62 | NCF1 (0.39) | — | |
| SCHEMBL1014919 | 0.56 | PDPK1 (0.39) | — | |
| SCHEMBL4975500 | 0.56 | — | — | |
| SCHEMBL1128530 | 0.56 | PDE4A (0.38) | — | |
| Tisopurine SCHEMBL7160585 | 0.56 | — | — | |
| SCHEMBL1616708 | 0.56 | L3MBTL1 (0.36) | — | |
| SCHEMBL11618062 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118652261-B | Heat-resistant fluorescent active energetic compound and synthesis method thereof | 南京理工大学 | 2025-02-07 | — | — | CN | disclosed |
| CN-118652261-A | Heat-resistant fluorescent active energetic compound and synthesis method thereof | 南京理工大学 | 2024-09-17 | — | — | CN | disclosed |