⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1119578 | 0.89 | EHMT2 (0.35) | — | |
| Fluoride Ion SCHEMBL4607229 | 0.87 | EHMT2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL261161 | 0.87 | EHMT2 (0.33) | — | |
| Iodide SCHEMBL7033668 | 0.87 | EHMT2 (0.33) | — | |
| Bromide SCHEMBL262065 | 0.87 | EHMT2 (0.33) | — | |
| SCHEMBL7035110 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL8717245 | 0.78 | CA12 (0.37) | — | |
| Hydrochloric Acid SCHEMBL25405995 | 0.76 | CA12 (0.36) | — | |
| Acetic Acid SCHEMBL261148 | 0.76 | CA1 (0.36) | — | |
| Nitrous Acid SCHEMBL7032189 | 0.76 | LMNA (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030163000-A1 | Halogen exchange reactions and catalysts therefor | CHORDIP LTD. (GB) | 2003-08-28 | — | — | US | disclosed |
| EP-1288196-A1 | Process for the preparation of organo guanidinium salts | Chordip Ltd. (GB) | 2003-03-05 | — | — | EP | disclosed |