⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4944379 | 1.00 | — | — | |
| SCHEMBL8919394 | 1.00 | — | — | |
| SCHEMBL4941625 | 0.73 | — | — | |
| SCHEMBL27567322 | 0.73 | — | — | |
| SCHEMBL27607588 | 0.71 | — | — | |
| SCHEMBL9480986 | 0.71 | — | — | |
| SCHEMBL27607603 | 0.71 | — | — | |
| SCHEMBL107995 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL107996 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL231687 | 0.69 | — | — |
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-107652239-B | N-substituted imidazole carboxylic ester compound, preparation method and application | 四川大学华西医院 | 2020-08-04 | — | — | CN | disclosed |