⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8182068 | 0.97 | — | — | |
| SCHEMBL8182744 | 0.97 | — | — | |
| SCHEMBL5947696 | 0.89 | — | — | |
| SCHEMBL7149929 | 0.89 | — | — | |
| SCHEMBL7147334 | 0.89 | — | — | |
| SCHEMBL7238996 | 0.88 | — | — | |
| SCHEMBL7148663 | 0.84 | — | — | |
| SCHEMBL8182556 | 0.83 | — | — | |
| SCHEMBL9641187 | 0.81 | — | — | |
| SCHEMBL3190937 | 0.81 | — | — |
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-6087493-A | ENZYME IHIBITORS | REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2000-07-11 | — | — | US | disclosed |