⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28886117 | 1.00 | — | — | |
| Methane SCHEMBL29199293 | 0.98 | — | — | |
| SCHEMBL27940478 | 0.76 | HTR5A (0.31) | — | |
| SCHEMBL29076760 | 0.74 | — | — | |
| SCHEMBL5851114 | 0.71 | ADORA3 (0.35) | — | |
| SCHEMBL29639106 | 0.71 | HTR5A (0.35) | — | |
| SCHEMBL926937 | 0.71 | HTR5A (0.35) | — | |
| SCHEMBL28202397 | 0.71 | THRB (0.37) | — | |
| SCHEMBL30954688 | 0.71 | ADORA3 (0.30) | — | |
| SCHEMBL9364337 | 0.70 | ADORA3 (0.34) | — |
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-117946103-A | Preparation method of chiral quaternary carbon-containing 3, 3-difluoroindole compound | 云南民族大学 | 2024-04-30 | — | — | CN | claimed |
| CN-117946103-A | Preparation method of chiral quaternary carbon-containing 3, 3-difluoroindole compound | 云南民族大学 | 2024-04-30 | — | — | CN | disclosed |
| CN-117946103-A | Preparation method of chiral quaternary carbon-containing 3, 3-difluoroindole compound | 云南民族大学 | 2024-04-30 | — | — | CN | disclosed |
| CN-117946103-A | Preparation method of chiral quaternary carbon-containing 3, 3-difluoroindole compound | 云南民族大学 | 2024-04-30 | — | — | CN | disclosed |