⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL1859211 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28670115 | 0.97 | — | — | |
| SCHEMBL5141266 | 0.93 | — | — | |
| SCHEMBL28588399 | 0.93 | — | — | |
| SCHEMBL466965 | 0.93 | — | — | |
| SCHEMBL335627 | 0.93 | — | — | |
| Fluoromethane SCHEMBL29022399 | 0.88 | — | — | |
| Cyanide SCHEMBL5505444 | 0.88 | — | — | |
| Boric Acid SCHEMBL28642095 | 0.85 | — | — | |
| SCHEMBL6228472 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115260204-A | Quaternized porphyrin derivative used as photodynamic antibacterial agent and preparation method and application thereof | 滨州医学院 | 2022-11-01 | — | — | CN | disclosed |
| CN-1714091-A | Meso-substituted porphyrins | MOLTENI & C (IT) | 2005-12-28 | — | — | CN | disclosed |
| EP-0606295-A1 | TETRAPHENYLPORPHYN DERIVATIVES | SANDOZ-ERFINDUNGEN Verwaltungsgesellschaft m.b.H. (AT) | 1994-07-20 | — | — | EP | disclosed |
| WO-1993007150-A1 | TETRAPHENYLPORPHYN DERIVATIVES | SANDOZ LTD. (CH) | 1993-04-15 | — | — | WO | disclosed |