⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37044 | 0.97 | — | — | |
| SCHEMBL28829998 | 0.95 | — | — | |
| Benzene SCHEMBL28251759 | 0.91 | TSHR (0.58) | — | |
| Phosphoric Acid SCHEMBL28332285 | 0.89 | TSHR (0.56) | — | |
| SCHEMBL900042 | 0.87 | TSHR (0.80) | — | |
| SCHEMBL8056087 | 0.84 | TSHR (0.83) | — | |
| SCHEMBL30604742 | 0.84 | TSHR (0.84) | — | |
| SCHEMBL93462 | 0.84 | TSHR (0.84) | — | |
| SCHEMBL717283 | 0.83 | — | — | |
| SCHEMBL10508670 | 0.81 | TSHR (0.80) | — |
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-109642080-A | ADDITION-CURABLE SILICONE RUBBER COMPOSITION AND AIRBAG | 信越化学工业株式会社 | 2019-04-16 | — | — | CN | disclosed |