⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8022170 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11113277 | 0.98 | NOS2 (0.38) | — | |
| SCHEMBL8024940 | 0.82 | NOS2 (0.44) | — | |
| SCHEMBL16572561 | 0.81 | — | — | |
| SCHEMBL685448 | 0.81 | — | — | |
| SCHEMBL25788608 | 0.81 | — | — | |
| SCHEMBL3936328 | 0.81 | — | — | |
| SCHEMBL340835 | 0.81 | — | — | |
| SCHEMBL13137494 | 0.79 | EPHX1 (0.34) | — | |
| SCHEMBL8022166 | 0.79 | — | — |
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-0051682-B1 | CYSTEINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | MITSUBISHI KASEI CORPORATION (JP) | 1984-09-05 | — | — | EP | disclosed |
| US-4440788-A | REGENERATION OF LIVER CELLS | MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) | 1984-04-03 | — | — | US | disclosed |
| EP-0051682-A1 | CYSTEINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION | MITSUBISHI KASEI CORPORATION (JP) | 1982-05-19 | — | — | EP | disclosed |