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 | |
|---|---|---|---|---|
| SCHEMBL9535922 | 0.68 | — | — | |
| SCHEMBL9535919 | 0.68 | — | — | |
| SCHEMBL9763644 | 0.65 | — | — | |
| SCHEMBL26563512 | 0.64 | — | — | |
| SCHEMBL16499767 | 0.64 | — | — | |
| SCHEMBL22101612 | 0.60 | KDM4E (0.33) | — | |
| SCHEMBL5945918 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL14814579 | 0.57 | — | — | |
| SCHEMBL9348376 | 0.57 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL27995685 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0182262-B1 | NONA AND DECAPEPTIDE ANALOGS OF LHRH USEFUL AS LHRH ANTAGONISTS | SYNTEX (U.S.A.) INC. (US) | 1993-01-20 | — | — | EP | disclosed |
| US-4690916-A | ANTIFERTILITY AGENTS; HALO-SUBSTITUTED GUANADINO AMINO ACYL RESIDUE COMPONENT | SYNTEX (U.S.A.) INC. (US) | 1987-09-01 | — | — | US | disclosed |
| EP-0182262-A2 | Nona and decapeptide analogs of LHRH useful as LHRH antagonists | SYNTEX (U.S.A.) INC. (US) | 1986-05-28 | — | — | EP | disclosed |