⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4925410 | 0.79 | TSHR (0.54) | — | |
| SCHEMBL12787639 | 0.77 | — | — | |
| SCHEMBL150450 | 0.76 | TSHR (0.61) | — | |
| SCHEMBL5522882 | 0.76 | TSHR (0.61) | — | |
| Water SCHEMBL28147329 | 0.76 | SMN1; SMN2 (0.48) | — | |
| Methoxymethane SCHEMBL1074158 | 0.76 | TSHR (0.59) | — | |
| SCHEMBL9869829 | 0.75 | TSHR (0.64) | — | |
| SCHEMBL16610577 | 0.74 | TSHR (0.42) | — | |
| Ethane SCHEMBL216341 | 0.73 | TSHR (0.62) | — | |
| SCHEMBL2933673 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230265298-A1 | A COATING COMPOSITION, AN ARTICLE MADE THEREOF AND A PROCESS FOR PREPARING THE SAME | Sherwin-Williams (Guangdong) New Material Co., Ltd. (CN) | 2023-08-24 | — | — | US | disclosed |