⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27513464 | 0.86 | — | — | |
| SCHEMBL7060717 | 0.85 | — | — | |
| SCHEMBL27206851 | 0.83 | — | — | |
| SCHEMBL27679602 | 0.83 | — | — | |
| SCHEMBL27920656 | 0.83 | — | — | |
| SCHEMBL8489556 | 0.82 | — | — | |
| SCHEMBL28842895 | 0.82 | — | — | |
| SCHEMBL28738337 | 0.80 | — | — | |
| SCHEMBL28635154 | 0.80 | CYP3A4 (0.30) | — | |
| SCHEMBL28767289 | 0.80 | ALDH1A1 (0.30) | — |
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-116640573-B | Porphyrin axial passivation modified perovskite nano hybrid material and preparation and application thereof | 同济大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-116640573-A | Porphyrin axial passivation modified perovskite nano hybrid material and preparation and application thereof | 同济大学 | 2023-08-25 | — | — | CN | disclosed |