⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30730978 | 1.00 | — | — | |
| SCHEMBL30195940 | 0.74 | — | — | |
| SCHEMBL1721868 | 0.73 | — | — | |
| SCHEMBL15863890 | 0.71 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL334206 | 0.71 | CYP3A4 (0.33) | — | |
| SCHEMBL27467454 | 0.71 | NOTUM (0.34) | — | |
| SCHEMBL1101943 | 0.71 | — | — | |
| Methane SCHEMBL22772351 | 0.70 | — | — | |
| SCHEMBL8727491 | 0.70 | — | — | |
| Iodide SCHEMBL30612391 | 0.70 | CYP3A4 (0.32) | — |
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-117642364-A | Method and product for removing contaminants from liquid compositions | 纽麦特科技公司 | 2024-03-01 | — | — | CN | claimed |
| CN-117642364-A | Method and product for removing contaminants from liquid compositions | 纽麦特科技公司 | 2024-03-01 | — | — | CN | disclosed |