⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL182829 | 0.96 | — | — | |
| Ethylene SCHEMBL27593545 | 0.92 | TDP1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL28650017 | 0.92 | — | — | |
| SCHEMBL13785028 | 0.87 | TDP1 (0.53) | — | |
| Methacrylic Acid SCHEMBL27825776 | 0.85 | TDP1 (0.44) | — | |
| SCHEMBL7933596 | 0.83 | TDP1 (0.50) | — | |
| SCHEMBL8169548 | 0.80 | — | — | |
| SCHEMBL298108 | 0.77 | — | — | |
| SCHEMBL741025 | 0.77 | — | — | |
| SCHEMBL3994531 | 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-20160096910-A1 | CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING SAME | ZEON CORPORATION (JP) | 2016-04-07 | — | — | US | disclosed |