⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1016 | 0.72 | — | — | |
| SCHEMBL13272456 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL23779796 | 0.67 | — | — | |
| Water SCHEMBL31291049 | 0.67 | — | — | |
| SCHEMBL12304947 | 0.62 | — | — | |
| SCHEMBL9706972 | 0.62 | — | — | |
| SCHEMBL10619963 | 0.62 | — | — | |
| SCHEMBL15459723 | 0.62 | — | — | |
| SCHEMBL3473272 | 0.62 | — | — | |
| SCHEMBL14177969 | 0.62 | — | — |
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-113195597-B | Complex compound and method for producing same | 丸善石油化学株式会社 | 2023-01-03 | — | — | CN | disclosed |
| CN-113195597-A | Complex compound and method for producing same | 丸善石油化学株式会社 | 2021-07-30 | — | — | CN | disclosed |