⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28792551 | 0.78 | — | — | |
| SCHEMBL31588214 | 0.76 | — | — | |
| SCHEMBL679157 | 0.74 | — | — | |
| SCHEMBL31595667 | 0.72 | — | — | |
| SCHEMBL8621472 | 0.71 | — | — | |
| SCHEMBL3748544 | 0.71 | — | — | |
| SCHEMBL15018057 | 0.71 | — | — | |
| SCHEMBL8930827 | 0.70 | — | — | |
| SCHEMBL6033245 | 0.70 | — | — | |
| SCHEMBL8809949 | 0.68 | — | — |
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-6063789-A | Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents | ASTRA PHARMACEUTICALS, LTD. (GB) | 2000-05-16 | — | — | US | disclosed |