⚠ 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 | |
|---|---|---|---|---|
| Allylamine SCHEMBL18302510 | 0.91 | — | — | |
| Allylamine SCHEMBL27908618 | 0.91 | — | — | |
| Allylamine SCHEMBL15197 | 0.91 | — | — | |
| Allylamine SCHEMBL6032547 | 0.91 | — | — | |
| Allylamine SCHEMBL10528352 | 0.87 | — | — | |
| Allylamine SCHEMBL3921566 | 0.87 | — | — | |
| Allylamine SCHEMBL5955918 | 0.87 | ALDH1A1 (0.75) | — | |
| Allylamine SCHEMBL11114361 | 0.87 | — | — | |
| Allylamine SCHEMBL11773115 | 0.87 | — | — | |
| Allylamine SCHEMBL11373125 | 0.86 | — | — |
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-0878715-B1 | Cyanide-containing hemoglobin reagent composition and method providing acceptable precision, accuracy and freedom from white cell interference on automated hematology analyzers | BAYER AG (US) | 2002-07-31 | — | — | EP | claimed |