⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28202335 | 0.91 | — | — | |
| SCHEMBL28316303 | 0.89 | — | — | |
| SCHEMBL27494022 | 0.89 | — | — | |
| SCHEMBL27792309 | 0.89 | — | — | |
| SCHEMBL29215815 | 0.84 | — | — | |
| SCHEMBL28716880 | 0.80 | — | — | |
| SCHEMBL27858246 | 0.80 | — | — | |
| SCHEMBL5557287 | 0.80 | — | — | |
| SCHEMBL28685264 | 0.80 | — | — | |
| SCHEMBL28144158 | 0.80 | — | — |
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-5661117-A | USING ANIONIC RESIN AND POLYMERIC SORBENT | CLARCOR INC. | 1997-08-26 | — | — | US | disclosed |