⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9502619 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL9499982 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL9499985 | 0.97 | — | — | |
| SCHEMBL23604929 | 0.74 | — | — | |
| SCHEMBL22628446 | 0.69 | — | — | |
| SCHEMBL19170588 | 0.67 | — | — | |
| SCHEMBL22628696 | 0.65 | — | — | |
| SCHEMBL22152058 | 0.65 | — | — | |
| SCHEMBL20732529 | 0.65 | — | — | |
| SCHEMBL7737797 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0412358-A1 | 3-Amino-5-aminocarbonyl-1,2,4-triazole derivatives | BAYER AG (DE) | 1991-02-13 | — | — | EP | disclosed |