⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5004783 | 0.80 | — | — | |
| SCHEMBL5360866 | 0.76 | — | — | |
| SCHEMBL302044 | 0.72 | — | — | |
| SCHEMBL25043621 | 0.70 | — | — | |
| SCHEMBL9999488 | 0.69 | — | — | |
| SCHEMBL15900980 | 0.67 | — | — | |
| SCHEMBL17320492 | 0.65 | — | — | |
| SCHEMBL19645693 | 0.65 | KCNH2 (0.31) | — | |
| SCHEMBL3341370 | 0.65 | — | — | |
| SCHEMBL7528266 | 0.65 | — | — |
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-8894782-B2 | Hypergolic hydrocarbon fuels | WILEY ORGANICS, INC. (US) | 2014-11-25 | — | — | US | claimed |
| US-20140209224-A1 | Hypergolic hydrocarbon fuels | WILEY COMPANIES | 2014-07-31 | — | — | US | claimed |