⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7922642 | 1.00 | — | — | |
| SCHEMBL11406750 | 0.83 | — | — | |
| SCHEMBL9175469 | 0.83 | — | — | |
| SCHEMBL532188 | 0.83 | — | — | |
| SCHEMBL10416450 | 0.83 | — | — | |
| SCHEMBL21373707 | 0.80 | — | — | |
| SCHEMBL21373708 | 0.80 | — | — | |
| Boric Acid SCHEMBL27935964 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL31742249 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL7377831 | 0.75 | — | — |
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-1011667-A4 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO INC (US) | 2001-03-28 | — | — | EP | disclosed |
| EP-1011667-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-06-28 | — | — | EP | disclosed |
| WO-1998055119-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 1998-12-10 | — | — | WO | disclosed |