⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16238831 | 0.69 | DDB1 (0.30) | — | |
| SCHEMBL6323838 | 0.60 | — | — | |
| SCHEMBL1695527 | 0.60 | — | — | |
| SCHEMBL29529572 | 0.60 | — | — | |
| SCHEMBL28124036 | 0.58 | — | — | |
| SCHEMBL6327332 | 0.56 | — | — | |
| SCHEMBL28857868 | 0.54 | CA1 (0.40) | — | |
| SCHEMBL9344374 | 0.54 | — | — | |
| SCHEMBL19395572 | 0.53 | TSHR (0.38) | — | |
| SCHEMBL4760477 | 0.51 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113444101-B | Cyclopentane chromanone spliced bis-spiro-indene dione oxoindole compound and preparation method and application thereof | 贵州大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-113444101-B | Cyclopentane chromanone spliced bis-spiro-indene dione oxoindole compound and preparation method and application thereof | 贵州大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-112390804-B | Cyclopentachromanone spliced spiro-oxoindole compound and preparation method and application thereof | 贵州大学 | 2022-05-24 | — | — | CN | disclosed |
| CN-112390804-B | Cyclopentachromanone spliced spiro-oxoindole compound and preparation method and application thereof | 贵州大学 | 2022-05-24 | — | — | CN | disclosed |