⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL256778 | 0.97 | — | — | |
| Hydrogen Sulfide SCHEMBL10340661 | 0.94 | — | — | |
| SCHEMBL1218584 | 0.79 | — | — | |
| SCHEMBL1208022 | 0.77 | — | — | |
| SCHEMBL9235 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL25288112 | 0.73 | HIF1A (0.33) | — | |
| Hydrochloric Acid SCHEMBL564662 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL18526747 | 0.73 | — | — | |
| SCHEMBL2621588 | 0.67 | — | — | |
| SCHEMBL10828989 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4904680-A | IMMUNOLOGY | SANKYO COMPANY, LIMITED (JP) | 1990-02-27 | — | — | US | disclosed |
| EP-0173441-B1 | AMINO ACID DERIVATIVES HAVING ANTI-TUMOR ACTIVITY AND COMPOSITIONS CONTAINING THEM | SANKYO COMPANY LIMITED (JP) | 1990-01-24 | — | — | EP | disclosed |
| EP-0173441-A1 | Amino acid derivatives having anti-tumor activity and compositions containing them | SANKYO COMPANY LIMITED (JP) | 1986-03-05 | — | — | EP | disclosed |