⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8605697 | 0.87 | — | — | |
| SCHEMBL7603403 | 0.86 | — | — | |
| SCHEMBL272945 | 0.85 | — | — | |
| SCHEMBL216534 | 0.82 | — | — | |
| SCHEMBL796621 | 0.80 | — | — | |
| SCHEMBL139330 | 0.79 | — | — | |
| SCHEMBL7600832 | 0.78 | — | — | |
| SCHEMBL6724590 | 0.77 | — | — | |
| SCHEMBL5354268 | 0.76 | HTR2A (0.30) | — | |
| SCHEMBL5278351 | 0.76 | — | — |
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-5770752-A | Process for reducing the concentration of by-products in product mixtures | TARGOR GMBH (DE) | 1998-06-23 | — | — | US | disclosed |