⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8214072 | 0.78 | LTA4H (0.41) | — | |
| SCHEMBL2067080 | 0.77 | — | — | |
| SCHEMBL9421959 | 0.75 | LTA4H (0.50) | — | |
| SCHEMBL5808046 | 0.75 | LTA4H (0.50) | — | |
| SCHEMBL3360224 | 0.72 | LTA4H (0.41) | — | |
| SCHEMBL28674478 | 0.71 | — | — | |
| SCHEMBL2661 | 0.71 | — | — | |
| SCHEMBL347614 | 0.71 | — | — | |
| SCHEMBL2815717 | 0.71 | — | — | |
| SCHEMBL8728092 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3953464-A | ANALGESICS, ANTIINFLAMMATORY AGENTS | WARNER-LAMBERT COMPANY (US) | 1976-04-27 | — | — | US | claimed |
| US-4278750-A | REDUCING AGENTS, DIFFUSION | EASTMAN KODAK COMPANY (US) | 1981-07-14 | — | — | US | disclosed |
| US-4157919-A | Silver halide emulsions containing yellow-dye-forming couplers | EASTMAN KODAK COMPANY (US) | 1979-06-12 | — | — | US | disclosed |