⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1043525 | 0.84 | — | — | |
| SCHEMBL93369 | 0.84 | — | — | |
| SCHEMBL5772267 | 0.84 | — | — | |
| SCHEMBL29758624 | 0.81 | TDP1 (0.64) | — | |
| SCHEMBL31328777 | 0.81 | TDP1 (0.64) | — | |
| SCHEMBL29606834 | 0.81 | TDP1 (0.64) | — | |
| SCHEMBL30586708 | 0.81 | TDP1 (0.64) | — | |
| SCHEMBL11440428 | 0.81 | TDP1 (0.64) | — | |
| SCHEMBL9015855 | 0.81 | TDP1 (0.64) | — | |
| SCHEMBL29010315 | 0.81 | TDP1 (0.64) | — |
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-9221739-B2 | Methylene beta-diketone monomers, methods for making methylene beta-diketone monomers, polymerizable compositions and products formed therefrom | SIRRUS, INC. (US) | 2015-12-29 | — | — | US | disclosed |