⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL438244 | 0.96 | — | — | |
| Bromide SCHEMBL11334148 | 0.93 | — | — | |
| Water SCHEMBL28817745 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL29255907 | 0.93 | — | — | |
| SCHEMBL8567914 | 0.80 | TSHR (0.47) | — | |
| SCHEMBL25276037 | 0.78 | PIK3CD (0.38) | — | |
| SCHEMBL19170968 | 0.74 | — | — | |
| SCHEMBL25276038 | 0.72 | ANPEP (0.39) | — | |
| SCHEMBL13671440 | 0.71 | — | — | |
| SCHEMBL18902642 | 0.71 | — | — |
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-114787281-A | Curable composition | 瓦克化学股份公司 | 2022-07-22 | — | — | CN | claimed |
| CN-114787281-A | Curable composition | 瓦克化学股份公司 | 2022-07-22 | — | — | CN | disclosed |