⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1274165 | 0.62 | — | — | |
| SCHEMBL216379 | 0.59 | — | — | |
| SCHEMBL3005557 | 0.59 | — | — | |
| SCHEMBL5315732 | 0.59 | — | — | |
| SCHEMBL17513 | 0.54 | — | — | |
| Water SCHEMBL28733218 | 0.53 | — | — | |
| Water SCHEMBL119334 | 0.50 | — | — | |
| Water SCHEMBL27101421 | 0.50 | — | — | |
| Water SCHEMBL490048 | 0.50 | — | — | |
| Water SCHEMBL28980285 | 0.47 | — | — |
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-4446223-A | Recording and information record elements comprising oxoindolizine and oxoindolizinium dyes | EASTMAN KODAK COMPANY (US) | 1984-05-01 | — | — | US | disclosed |