⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10375812 | 0.74 | — | — | |
| SCHEMBL7678682 | 0.74 | — | — | |
| SCHEMBL367594 | 0.69 | — | — | |
| SCHEMBL16845951 | 0.68 | ADH1B (0.42) | — | |
| SCHEMBL7676149 | 0.68 | ADH1B (0.42) | — | |
| SCHEMBL64203 | 0.67 | — | — | |
| SCHEMBL16372613 | 0.67 | ADH1B (0.41) | — | |
| SCHEMBL7675794 | 0.65 | ADH1B (0.39) | — | |
| SCHEMBL9626003 | 0.65 | — | — | |
| Acetic Acid SCHEMBL7710938 | 0.65 | CYP2D6 (0.55) | — |
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-0470256-A1 | PEPTIDE DERIVATIVES AND PRODUCTION THEREOF | Takeda Chemical Industries, Ltd. (JP) | 1992-02-12 | — | — | EP | disclosed |
| WO-1991013089-A1 | PEPTIDE DERIVATIVES AND PRODUCTION THEREOF | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-09-05 | — | — | WO | disclosed |