⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL907519 | 1.00 | TSHR (0.40) | — | |
| SCHEMBL27091885 | 0.93 | TSHR (0.38) | — | |
| SCHEMBL26690315 | 0.90 | — | — | |
| SCHEMBL1337362 | 0.90 | TGM2 (0.42) | — | |
| SCHEMBL2733784 | 0.89 | CA12 (0.53) | — | |
| SCHEMBL615220 | 0.88 | HTT (0.41) | — | |
| SCHEMBL3753325 | 0.84 | TGM2 (0.45) | — | |
| SCHEMBL1147261 | 0.84 | CA12 (0.45) | — | |
| SCHEMBL9420528 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL4120737 | 0.84 | TSHR (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117964844-A | Thermosensitive nitrile latex and preparation method and application thereof | 星宇新材料股份有限公司 | 2024-05-03 | — | — | CN | claimed |
| CN-114984874-B | Method for preparing magnetic/fluorescent/temperature-sensitive colloidal crystal microsphere through microfluidics and product thereof | 重庆理工大学 | 2023-04-25 | — | — | CN | claimed |
| CN-117964844-A | Thermosensitive nitrile latex and preparation method and application thereof | 星宇新材料股份有限公司 | 2024-05-03 | — | — | CN | disclosed |