⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL57247 | 0.95 | — | — | |
| SCHEMBL3669514 | 0.95 | — | — | |
| Methane SCHEMBL11656274 | 0.91 | — | — | |
| SCHEMBL38655415 | 0.91 | — | — | |
| Propane SCHEMBL181628 | 0.91 | — | — | |
| Water SCHEMBL3372529 | 0.91 | — | — | |
| SCHEMBL29228569 | 0.91 | — | — | |
| SCHEMBL11432492 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL5350932 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL5078435 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104619678-B | Method for producing acrylic acid by catalytic pyrolysis of poly-3-hydroxypropionate using at least one molecularly active compound | 巴斯夫欧洲公司 | 2017-02-22 | — | — | CN | disclosed |