⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2034410 | 0.97 | — | — | |
| Water SCHEMBL27490917 | 0.95 | — | — | |
| Water SCHEMBL28246854 | 0.95 | OR51E2 (0.42) | — | |
| SCHEMBL3679611 | 0.90 | — | — | |
| SCHEMBL7578293 | 0.87 | — | — | |
| Water SCHEMBL27395128 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL8085440 | 0.87 | — | — | |
| SCHEMBL28764479 | 0.84 | OR51E2 (0.34) | — | |
| SCHEMBL2321017 | 0.83 | — | — | |
| Water SCHEMBL28089026 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4343922-A | Polymers containing chemically bonded metal atoms | HITCO (US) | 1982-08-10 | — | — | US | disclosed |
| US-4302392-A | Polymers containing chemically bonded metal atoms | HITCO (US) | 1981-11-24 | — | — | US | disclosed |