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 | |
|---|---|---|---|---|
| SCHEMBL9051405 | 0.96 | TTR (0.36) | — | |
| SCHEMBL18165 | 0.96 | — | — | |
| SCHEMBL2771972 | 0.96 | TTR (0.36) | — | |
| Methane SCHEMBL12477494 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL1434836 | 0.93 | TTR (0.33) | — | |
| Hydrochloric Acid SCHEMBL4491180 | 0.93 | TTR (0.33) | — | |
| SCHEMBL14841784 | 0.93 | — | — | |
| Bromide SCHEMBL5069293 | 0.93 | — | — | |
| SCHEMBL9760083 | 0.93 | TTR (0.33) | — | |
| Hydrochloric Acid SCHEMBL17919 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1039899-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | claimed |
| WO-1999032100-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | claimed |
| US-7799824-B2 | Quaternary salt CCR2 antagonists | ORAPHARMA, INC. (US) | 2010-09-21 | — | — | US | disclosed |
| EP-1765803-A1 | QUATERNARY SALT CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-03-28 | — | — | EP | disclosed |
| US-20060293379-A1 | Quaternary salt CCR2 antagonists | KENVUE BRANDS LLC | 2006-12-28 | — | — | US | disclosed |
| WO-2006012135-A1 | QUATERNARY SALT CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA, N. V. (BE) | 2006-02-02 | — | — | WO | disclosed |