⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16250 | 0.81 | TSHR (0.42) | — | |
| SCHEMBL3647669 | 0.80 | — | — | |
| SCHEMBL29700536 | 0.80 | — | — | |
| SCHEMBL996401 | 0.80 | — | — | |
| SCHEMBL11475673 | 0.78 | — | — | |
| SCHEMBL27363765 | 0.78 | ALOX15 (0.36) | — | |
| Methyl Alcohol SCHEMBL28095566 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL28746772 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL28911829 | 0.76 | SLC7A5 (0.46) | — | |
| SCHEMBL27789979 | 0.76 | LMNA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107141293-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2022-09-23 | — | — | CN | disclosed |
| CN-115057861-A | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2022-09-16 | — | — | CN | disclosed |