⚠ 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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL28263907 | 0.97 | TSHR (0.33) | — | |
| SCHEMBL2729286 | 0.90 | — | — | |
| SCHEMBL545851 | 0.90 | — | — | |
| SCHEMBL9750880 | 0.90 | — | — | |
| SCHEMBL9740726 | 0.82 | — | — | |
| SCHEMBL9457957 | 0.82 | — | — | |
| SCHEMBL2788452 | 0.82 | — | — | |
| SCHEMBL9458547 | 0.80 | — | — | |
| Ethylene Glycol SCHEMBL5468454 | 0.79 | — | — | |
| SCHEMBL300045 | 0.79 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105142712-A | Medical tube, method for manufacturing same, and tube connector | SUMITOMO RUBBER IND | 2015-12-09 | — | — | CN | disclosed |