⚠ 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 | |
|---|---|---|---|---|
| Cyanide SCHEMBL309270 | 0.71 | — | — | |
| Cyanide SCHEMBL10375225 | 0.71 | — | — | |
| Cyanide SCHEMBL244 | 0.71 | — | — | |
| Cyanide SCHEMBL1056420 | 0.71 | CA1 (1.00) | — | |
| Cyanide SCHEMBL2459499 | 0.71 | — | — | |
| SCHEMBL251318 | 0.71 | — | — | |
| Cyanide SCHEMBL3498964 | 0.71 | CA1 (1.00) | — | |
| Cyanide SCHEMBL2683534 | 0.71 | — | — | |
| Cyanide SCHEMBL27547694 | 0.67 | — | — | |
| Cyanide SCHEMBL28252612 | 0.67 | — | — |
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-5603963-A | AIDS THERAPY | UNIVERSITY OF CINCINNATI (US) | 1997-02-18 | — | — | US | claimed |
| US-5603963-A | AIDS THERAPY | UNIVERSITY OF CINCINNATI (US) | 1997-02-18 | — | — | US | disclosed |
| US-5603963-A | AIDS THERAPY | UNIVERSITY OF CINCINNATI (US) | 1997-02-18 | — | — | US | disclosed |