⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL338901 | 0.91 | — | — | |
| SCHEMBL28492977 | 0.83 | — | — | |
| SCHEMBL29120870 | 0.83 | — | — | |
| Water SCHEMBL6541848 | 0.83 | — | — | |
| Water SCHEMBL6541846 | 0.83 | — | — | |
| Lithium Ion SCHEMBL31567656 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL6540239 | 0.83 | — | — | |
| SCHEMBL5324665 | 0.83 | — | — | |
| SCHEMBL8408799 | 0.83 | — | — | |
| SCHEMBL7156707 | 0.83 | — | — |
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-5986153-A | DECOLORING A SOLUTION OF PYRROLES MIXED WITH OLEFINS USING ALUMINUM, ZIRCONIUM AND BORATE | PHILLIPS PETROLEUM COMPANY (US) | 1999-11-16 | — | — | US | disclosed |