⚠ 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 | |
|---|---|---|---|---|
| Cyanide SCHEMBL29022581 | 1.00 | — | — | |
| SCHEMBL21431 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL11047119 | 0.82 | — | — | |
| SCHEMBL10716524 | 0.82 | — | — | |
| SCHEMBL28043179 | 0.82 | — | — | |
| SCHEMBL6013309 | 0.82 | — | — | |
| SCHEMBL29022559 | 0.80 | — | — | |
| Propyne SCHEMBL7033478 | 0.80 | — | — | |
| Ethylene SCHEMBL27268231 | 0.78 | — | — | |
| Propene SCHEMBL28250702 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115108959-A | Photobleachable visible light initiator containing benzylidene ketone structure and preparation method and application thereof | 武汉大学 | 2022-09-27 | — | — | CN | disclosed |
| CN-213975314-U | Detection kit for hydrazine hydrate | 湖南师范大学 | 2021-08-17 | — | — | CN | disclosed |