⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL283638 | 0.69 | — | — | |
| SCHEMBL11704000 | 0.61 | — | — | |
| SCHEMBL29519922 | 0.56 | — | — | |
| SCHEMBL3248406 | 0.56 | — | — | |
| SCHEMBL11706596 | 0.56 | — | — | |
| SCHEMBL11702413 | 0.56 | MEN1 (0.37) | — | |
| Lithium SCHEMBL31255852 | 0.55 | — | — | |
| SCHEMBL31255845 | 0.55 | — | — | |
| Ammonia Solution, Strong SCHEMBL31255848 | 0.55 | — | — | |
| Potassium SCHEMBL31255853 | 0.55 | — | — |
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-5203907-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-20 | — | — | US | disclosed |