⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28575824 | 0.81 | MMP3 (0.33) | — | |
| SCHEMBL473159 | 0.75 | MAOA (0.32) | — | |
| SCHEMBL28973039 | 0.75 | NPC1 (0.31) | — | |
| SCHEMBL28779399 | 0.75 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL28834395 | 0.75 | — | — | |
| SCHEMBL28445233 | 0.75 | — | — | |
| SCHEMBL28439250 | 0.75 | — | — | |
| SCHEMBL28381602 | 0.74 | MAOA (0.31) | — | |
| SCHEMBL28379953 | 0.74 | MAOA (0.31) | — | |
| Hydrochloric Acid SCHEMBL28432953 | 0.74 | MAOA (0.31) | — |
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-117777416-A | CuTEP-COF polymer and preparation method and application thereof | 山东师范大学 | 2024-03-29 | — | — | CN | disclosed |