⚠ 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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL29636291 | 0.73 | PIN1 (0.32) | — | |
| Boric Acid SCHEMBL27905694 | 0.70 | HDAC4 (0.30) | — | |
| SCHEMBL29147899 | 0.70 | GSTP1 (0.32) | — | |
| SCHEMBL14847490 | 0.70 | GSTP1 (0.32) | — | |
| Boric Acid SCHEMBL27890403 | 0.69 | — | — | |
| Boric Acid SCHEMBL29141876 | 0.67 | CA1 (0.41) | — | |
| SCHEMBL9647720 | 0.67 | KDM1A (0.34) | — | |
| SCHEMBL9647725 | 0.67 | KDM1A (0.34) | — | |
| SCHEMBL8002542 | 0.67 | HDAC4 (0.31) | — | |
| SCHEMBL238010 | 0.66 | — | — |
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-113603814-B | Method for repairing tire inner liner | 无锡安睿驰科技有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-113603814-A | Method for repairing tire inner liner | 无锡安睿驰科技有限公司 | 2021-11-05 | — | — | CN | disclosed |