⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29140532 | 0.88 | TP53 (0.33) | — | |
| SCHEMBL29140526 | 0.86 | MCHR1 (0.31) | — | |
| SCHEMBL29140533 | 0.72 | MCHR1 (0.38) | — | |
| SCHEMBL28839685 | 0.71 | PLA2G2A (0.31) | — | |
| SCHEMBL28169162 | 0.64 | PDE5A (0.39) | — | |
| Iodide SCHEMBL2313827 | 0.64 | PDE5A (0.38) | — | |
| SCHEMBL28493240 | 0.62 | RARB (0.40) | — | |
| SCHEMBL28436255 | 0.62 | RARB (0.40) | — | |
| SCHEMBL15282932 | 0.61 | PLA2G2A (0.33) | — | |
| SCHEMBL21523874 | 0.61 | RARB (0.40) | — |
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-117425361-A | Porphyrin passivation perovskite nano film material and preparation and application thereof | 同济大学 | 2024-01-19 | — | — | CN | disclosed |