Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6228472 | 0.95 | — | — | |
| SCHEMBL1603317 | 0.95 | — | — | |
| SCHEMBL1602933 | 0.95 | — | — | |
| SCHEMBL1603253 | 0.95 | — | — | |
| SCHEMBL1603263 | 0.95 | — | — | |
| SCHEMBL1603958 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL6227562 | 0.93 | — | — | |
| Iodide SCHEMBL1410331 | 0.84 | — | — | |
| Iodide SCHEMBL1859211 | 0.82 | — | — | |
| SCHEMBL2847937 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050137180-A1 | Metallotetrapyrrolic photosensitizing agents for use in photodynamic therapy | MIRAVANT PHARMACEUTICALS, INC. | 2005-06-23 | — | — | US | disclosed |
| EP-1401506-A4 | METALLOTETRAPYRROLIC PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY | MIRAVANT PHARM INC (US) | 2005-02-16 | — | — | EP | disclosed |
| US-6827926-B2 | Administering a porphyrin compound that coordinates gallium in the central pyrrolic core, and irradiating porphyrin compound with energy at a wavelength capable of exciting the molecule to achieve the desired detection or therapeutic effect | MIRAVANT PHARMACEUTICALS, INC. | 2004-12-07 | — | — | US | disclosed |
| EP-1401506-A2 | METALLOTETRAPYRROLIC PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY | Miravant Pharmaceuticals, Inc. (US) | 2004-03-31 | — | — | EP | disclosed |
| US-20030105069-A1 | Metallotetrapyrrolic photosensitizing agents for use in photodynamic therapy | MIRAVANT PHARMACEUTICALS, INC. | 2003-06-05 | — | — | US | disclosed |
| WO-2002096366-A2 | METALLOTETRAPYRROLIC PHOTOSENSITIZING AGENTS FOR USE IN PHOTODYNAMIC THERAPY | MIRAVANT PHARMACEUTICALS, INC. (US) | 2002-12-05 | — | — | WO | disclosed |