⚠ 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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL2274196 | 0.84 | — | — | |
| Phosphonic Acid SCHEMBL2274201 | 0.84 | — | — | |
| Phosphonic Acid SCHEMBL9639981 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL29174420 | 0.81 | — | — | |
| SCHEMBL80932 | 0.78 | — | — | |
| SCHEMBL179822 | 0.78 | — | — | |
| SCHEMBL2708 | 0.78 | — | — | |
| Phosphonic Acid SCHEMBL11337238 | 0.75 | — | — | |
| Phosphonic Acid SCHEMBL28679156 | 0.74 | — | — | |
| SCHEMBL15756084 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-219663297-U | Hydroxy propylene phosphonic acid preparation facilities | 山东凯瑞化学有限公司 | 2023-09-12 | — | — | CN | claimed |
| CN-219663297-U | Hydroxy propylene phosphonic acid preparation facilities | 山东凯瑞化学有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-219663297-U | Hydroxy propylene phosphonic acid preparation facilities | 山东凯瑞化学有限公司 | 2023-09-12 | — | — | CN | disclosed |