⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL330836 | 0.75 | — | — | |
| SCHEMBL21384991 | 0.75 | — | — | |
| SCHEMBL11425 | 0.72 | — | — | |
| SCHEMBL29595875 | 0.72 | — | — | |
| SCHEMBL29924944 | 0.72 | ALDH1A1 (0.62) | — | |
| SCHEMBL29415472 | 0.72 | — | — | |
| SCHEMBL1099003 | 0.72 | ALDH1A1 (0.62) | — | |
| Hydrochloric Acid SCHEMBL7125109 | 0.70 | ALDH1A1 (0.94) | — | |
| Fluoride SCHEMBL29165726 | 0.70 | ALDH1A1 (0.94) | — | |
| Methane SCHEMBL22289605 | 0.70 | ALDH1A1 (0.94) | — |
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-4864047-A | Aminophenoxyphosphazenes and process for producing same | THE DOW CHEMICAL COMPANY (US) | 1989-09-05 | — | — | US | disclosed |