⚠ 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 | |
|---|---|---|---|---|
| Lithium SCHEMBL29707457 | 0.83 | — | — | |
| SCHEMBL1980369 | 0.82 | — | — | |
| SCHEMBL30167487 | 0.82 | — | — | |
| SCHEMBL2883380 | 0.82 | — | — | |
| SCHEMBL10456632 | 0.73 | — | — | |
| SCHEMBL15845289 | 0.73 | — | — | |
| Lithium SCHEMBL10687198 | 0.73 | — | — | |
| Lithium SCHEMBL291254 | 0.73 | — | — | |
| SCHEMBL14776970 | 0.73 | — | — | |
| Barium SCHEMBL9572129 | 0.73 | — | — |
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-4917876-A | Iron-titanium-aluminum-phosphorus-oxide molecular sieve compositions | UOP (US) | 1990-04-17 | — | — | US | disclosed |
| US-4917876-A | Iron-titanium-aluminum-phosphorus-oxide molecular sieve compositions | UOP (US) | 1990-04-17 | — | — | US | disclosed |