⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1984558 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL127065 | 0.69 | — | — | |
| SCHEMBL8442900 | 0.67 | — | — | |
| SCHEMBL3301649 | 0.67 | — | — | |
| SCHEMBL5698781 | 0.67 | — | — | |
| SCHEMBL130938 | 0.65 | — | — | |
| SCHEMBL8620639 | 0.65 | TSHR (0.50) | — | |
| SCHEMBL133652 | 0.65 | — | — | |
| SCHEMBL9118960 | 0.64 | — | — | |
| SCHEMBL7286676 | 0.63 | — | — |
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-5508403-A | ENHANCES EFFECTS OF ANTITUMOR AGENTS | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1996-04-16 | — | — | US | disclosed |
| EP-0353692-A2 | Drug effect-enhancing agent for antitumor drug | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1990-02-07 | — | — | EP | disclosed |