⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL69943 | 0.85 | — | — | |
| Boric Acid SCHEMBL25366209 | 0.82 | — | — | |
| SCHEMBL6330185 | 0.79 | — | — | |
| SCHEMBL21359945 | 0.71 | — | — | |
| SCHEMBL6654050 | 0.69 | — | — | |
| Boric Acid SCHEMBL28268378 | 0.67 | TSHR (0.40) | — | |
| Boric Acid SCHEMBL28065192 | 0.67 | TSHR (0.40) | — | |
| Boric Acid SCHEMBL28458009 | 0.67 | TSHR (0.40) | — | |
| Boric Acid SCHEMBL27551606 | 0.67 | — | — | |
| SCHEMBL982533 | 0.65 | — | — |
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-107805309-B | Dynamic polymer with non-covalent cross-linked structure and application thereof | 翁秋梅 | 2021-03-19 | — | — | CN | disclosed |
| CN-111378168-A | Combined energy absorption method and application thereof | 翁秋梅 | 2020-07-07 | — | — | CN | disclosed |