⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29131119 | 0.89 | — | — | |
| SCHEMBL22345561 | 0.88 | CYP3A4 (0.31) | — | |
| SCHEMBL29120183 | 0.84 | CHRM1 (0.31) | — | |
| SCHEMBL2511230 | 0.78 | CYP3A4 (0.33) | — | |
| SCHEMBL29120194 | 0.77 | — | — | |
| SCHEMBL27995800 | 0.73 | HSD17B10 (0.30) | — | |
| SCHEMBL2506945 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL14244572 | 0.71 | CHRM1 (0.32) | — | |
| SCHEMBL1726219 | 0.70 | FDPS (0.35) | — | |
| SCHEMBL29131107 | 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-117164623-A | Synthesis method of dialkyl phosphinate | 江苏利思德新材料股份有限公司 | 2023-12-05 | — | — | CN | claimed |
| CN-117164623-A | Synthesis method of dialkyl phosphinate | 江苏利思德新材料股份有限公司 | 2023-12-05 | — | — | CN | disclosed |