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 | |
|---|---|---|---|---|
| SCHEMBL9518063 | 0.99 | — | — | |
| Iodide SCHEMBL9427749 | 0.82 | MC4R (0.32) | — | |
| SCHEMBL9518372 | 0.81 | MC4R (0.32) | — | |
| Acetic Acid SCHEMBL9429224 | 0.76 | PAOX (0.35) | — | |
| Acetic Acid SCHEMBL9518310 | 0.72 | NAAA (0.42) | — | |
| Iodide SCHEMBL9428900 | 0.67 | SIGMAR1 (0.34) | — | |
| SCHEMBL9518073 | 0.65 | SIGMAR1 (0.35) | — | |
| SCHEMBL9521241 | 0.64 | SIGMAR1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL9429215 | 0.63 | SIGMAR1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL9429210 | 0.62 | EPHX1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0472093-B1 | Bis guanidines and fungicides containing same | BASF AG (DE) | 1993-11-03 | — | — | EP | claimed |
| US-5242948-A | BISGUANIDINES AND FUNGICIDES CONTAINING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-07 | — | — | US | claimed |
| US-5302620-A | Bisguanidines and fungicides containing them | BASF AKTIENGESELLSCHAFT (DE) | 1994-04-12 | — | — | US | disclosed |
| US-5242948-A | BISGUANIDINES AND FUNGICIDES CONTAINING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-07 | — | — | US | disclosed |