⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19365986 | 0.72 | — | — | |
| SCHEMBL6895262 | 0.70 | — | — | |
| SCHEMBL7279000 | 0.70 | — | — | |
| SCHEMBL3033188 | 0.69 | — | — | |
| SCHEMBL7279128 | 0.67 | — | — | |
| SCHEMBL711907 | 0.64 | — | — | |
| SCHEMBL28761129 | 0.63 | HMGCR (0.35) | — | |
| SCHEMBL10405924 | 0.63 | — | — | |
| SCHEMBL4595691 | 0.62 | TRPA1 (0.32) | — | |
| SCHEMBL28761126 | 0.62 | HMGCR (0.41) | — |
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-113735756-B | Method for synthesizing chiral 3, 3-disubstituted isoindolinone compound by rhodium catalysis | 陕西师范大学 | 2024-04-26 | — | — | CN | disclosed |
| CN-113735756-A | Method for synthesizing chiral 3, 3-disubstituted isoindolinone compound by rhodium catalysis | 陕西师范大学 | 2021-12-03 | — | — | CN | disclosed |