⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9437991 | 0.99 | — | — | |
| SCHEMBL7256360 | 0.96 | — | — | |
| SCHEMBL9438131 | 0.94 | GPR84 (0.30) | — | |
| SCHEMBL8601753 | 0.94 | GPR84 (0.30) | — | |
| SCHEMBL433613 | 0.94 | GPR84 (0.30) | — | |
| SCHEMBL11651487 | 0.90 | — | — | |
| SCHEMBL4944697 | 0.78 | KCNH2 (0.34) | — | |
| SCHEMBL3261018 | 0.78 | — | — | |
| SCHEMBL11657135 | 0.77 | — | — | |
| SCHEMBL15162400 | 0.77 | — | — |
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-4128621-A | Production of ammonia | UOP INC. (US) | 1978-12-05 | — | — | US | disclosed |