⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28049044 | 0.87 | — | — | |
| SCHEMBL28113307 | 0.73 | MAOA (0.33) | — | |
| SCHEMBL27890437 | 0.69 | — | — | |
| SCHEMBL7256778 | 0.69 | — | — | |
| SCHEMBL27960566 | 0.69 | — | — | |
| SCHEMBL27874172 | 0.67 | — | — | |
| SCHEMBL28040679 | 0.67 | — | — | |
| SCHEMBL27614328 | 0.64 | — | — | |
| SCHEMBL6292615 | 0.61 | MMP3 (0.50) | — | |
| SCHEMBL28049798 | 0.61 | MMP3 (0.50) | — |
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-108715591-A | Near infrared absorption porphyrin compound as photosensitizer and its application | 华东理工大学 | 2018-10-30 | — | — | CN | disclosed |