⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12964600 | 0.78 | — | — | |
| SCHEMBL6356876 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9547234 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL15262136 | 0.70 | KCNH2 (0.44) | — | |
| SCHEMBL1844143 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL20339542 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL4854439 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL2806055 | 0.67 | JAK2 (0.33) | — | |
| SCHEMBL7992626 | 0.67 | ACHE (0.41) | — | |
| Hydrochloric Acid SCHEMBL3764110 | 0.66 | JAK2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0670720-A1 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-09-13 | — | — | EP | disclosed |
| WO-1994012165-A2 | ENZYME INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-06-09 | — | — | WO | disclosed |