⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14161148 | 0.69 | — | — | |
| SCHEMBL12329789 | 0.69 | — | — | |
| SCHEMBL15508748 | 0.69 | — | — | |
| SCHEMBL20620025 | 0.61 | LMNA (0.31) | — | |
| SCHEMBL31002 | 0.61 | — | — | |
| Butadiene SCHEMBL11296393 | 0.59 | — | — | |
| SCHEMBL3824526 | 0.58 | — | — | |
| SCHEMBL43545 | 0.58 | — | — | |
| SCHEMBL18541680 | 0.58 | — | — | |
| SCHEMBL6466837 | 0.58 | — | — |
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-20190071525-A1 | SUPERCONDUCTIVE POLYACETYLENE FORMED VIA IRRADIATION OF A UREA INCLUSION COMPOUND WITH A REACTIVE DIIODOPOLYENE GUEST | SYRACUSE UNIVERSITY (US) | 2019-03-07 | — | — | US | disclosed |