⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28615436 | 0.84 | — | — | |
| SCHEMBL38660196 | 0.77 | LMNA (0.32) | — | |
| SCHEMBL22733786 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL8568766 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL9367097 | 0.68 | — | — | |
| SCHEMBL905316 | 0.68 | CYP1A2 (0.33) | — | |
| SCHEMBL6620859 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL31512459 | 0.66 | — | — | |
| SCHEMBL28619743 | 0.65 | HTT (0.34) | — | |
| SCHEMBL28478565 | 0.65 | — | — |
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-113214134-B | Synthesis method of quaternary carbon oxoindole skeleton | 南通大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-113214134-A | Synthesis method of quaternary carbon oxoindole skeleton | 南通大学 | 2021-08-06 | — | — | CN | disclosed |