⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15900980 | 0.96 | — | — | |
| SCHEMBL5360866 | 0.84 | — | — | |
| SCHEMBL19997087 | 0.81 | ADH1A (0.31) | — | |
| SCHEMBL19592028 | 0.81 | ADH1A (0.31) | — | |
| SCHEMBL17818284 | 0.79 | — | — | |
| SCHEMBL15354896 | 0.76 | KCNH2 (0.31) | — | |
| SCHEMBL100531 | 0.74 | — | — | |
| SCHEMBL2106124 | 0.72 | KCNH2 (0.39) | — | |
| SCHEMBL5252593 | 0.72 | — | — | |
| SCHEMBL20544495 | 0.72 | — | — |
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 4 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 |
| US-8894782-B2 | Hypergolic hydrocarbon fuels | WILEY ORGANICS, INC. (US) | 2014-11-25 | — | — | US | disclosed |
| US-20140209224-A1 | Hypergolic hydrocarbon fuels | WILEY COMPANIES | 2014-07-31 | — | — | US | disclosed |