⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1921995 | 0.97 | — | — | |
| SCHEMBL504341 | 0.94 | — | — | |
| SCHEMBL27383844 | 0.94 | — | — | |
| SCHEMBL1894944 | 0.94 | — | — | |
| SCHEMBL27564918 | 0.81 | CA1 (0.32) | — | |
| SCHEMBL269434 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL6840160 | 0.77 | — | — | |
| SCHEMBL11811432 | 0.77 | — | — | |
| SCHEMBL11311308 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL3640916 | 0.75 | NOS1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4474854-A | METALLIZED DYE, NICKEL OR COPPER PHOSPHONATE OR PHOSPHINATE | AGFA-GEVAERT AG (DE) | 1984-10-02 | — | — | US | disclosed |