⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9230121 | 0.87 | — | — | |
| SCHEMBL2334646 | 0.86 | — | — | |
| SCHEMBL4868862 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL15451420 | 0.80 | — | — | |
| SCHEMBL2337621 | 0.80 | — | — | |
| SCHEMBL13966350 | 0.80 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL11363867 | 0.80 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL15451442 | 0.80 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL13966355 | 0.80 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL7427892 | 0.78 | — | — |
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-104024278-B | Modificationization polyrotaxane and manufacture method thereof and there is modificationization polyrotaxane and the material that formed | 高级软质材料株式会社 | 2016-10-26 | — | — | CN | disclosed |