⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL569451 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL11687622 | 0.92 | — | — | |
| SCHEMBL11686755 | 0.92 | — | — | |
| Phosphine SCHEMBL27340410 | 0.92 | — | — | |
| SCHEMBL11682545 | 0.92 | — | — | |
| SCHEMBL11687404 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL11690336 | 0.92 | — | — | |
| SCHEMBL11685163 | 0.92 | — | — | |
| SCHEMBL11685295 | 0.92 | — | — | |
| Methylamine SCHEMBL11685146 | 0.88 | — | — |
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-4063923-A | PLANT GROWTH REGULATORS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-12-20 | — | — | US | disclosed |