⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28941151 | 1.00 | — | — | |
| SCHEMBL584063 | 1.00 | — | — | |
| Tetrahydrofuran SCHEMBL28433517 | 0.87 | ALDH1A1 (0.43) | — | |
| SCHEMBL1430397 | 0.85 | — | — | |
| SCHEMBL18541731 | 0.85 | — | — | |
| SCHEMBL18541676 | 0.85 | — | — | |
| SCHEMBL1552684 | 0.83 | — | — | |
| SCHEMBL21281749 | 0.83 | — | — | |
| SCHEMBL21281750 | 0.77 | — | — | |
| SCHEMBL5504144 | 0.77 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090088506-A1 | SYNTHESIS OF ENERGETIC THERMOPLASTIC ELASTOMERS CONTAINING BOTH POLYOXIRANE AND POLYOXETANE BLOCKS | ALLIANT TECHSYSTEMS INC. (US) | 2009-04-02 | — | — | US | claimed |