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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6558712 | 0.97 | — | — | |
| SCHEMBL6557932 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL8676326 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL8676764 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL8676450 | 0.82 | MEN1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8677448 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL8674746 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL8675275 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL8673658 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8678407 | 0.77 | BCHE (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5712404-A | REACTION OF FULVENE TYPE COMPOUND, AN ALKALI METAL COMPOUND AND TRANSITION METAL COMPOUND FOR CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1998-01-27 | — | — | US | disclosed |