⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL30485926 | 0.86 | — | — | |
| SCHEMBL5228 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL579414 | 0.76 | — | — | |
| Formic Acid SCHEMBL30785676 | 0.74 | ALDH1A1 (0.36) | — | |
| Formic Acid SCHEMBL30777532 | 0.72 | CA1 (0.31) | — | |
| Butane SCHEMBL1874913 | 0.71 | — | — | |
| Butane SCHEMBL30927845 | 0.71 | ALDH1A1 (0.44) | — | |
| Formic Acid SCHEMBL28049471 | 0.69 | — | — | |
| Ether SCHEMBL3101010 | 0.69 | — | — | |
| SCHEMBL11474826 | 0.69 | — | — |
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-114763364-A | Synthesis method of 1-propyl phosphoric anhydride | 黑龙江豪运药业有限公司 | 2022-07-19 | — | — | CN | claimed |
| CN-114763364-A | Synthesis method of 1-propyl phosphoric anhydride | 黑龙江豪运药业有限公司 | 2022-07-19 | — | — | CN | disclosed |