⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29353921 | 1.00 | — | — | |
| SCHEMBL29352138 | 1.00 | — | — | |
| Potassium SCHEMBL31749040 | 0.82 | — | — | |
| SCHEMBL11215818 | 0.82 | — | — | |
| SCHEMBL31474658 | 0.82 | — | — | |
| SCHEMBL31474645 | 0.82 | — | — | |
| SCHEMBL8999499 | 0.82 | — | — | |
| SCHEMBL11530263 | 0.82 | — | — | |
| SCHEMBL5411651 | 0.82 | — | — | |
| SCHEMBL31474660 | 0.82 | — | — |
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-117635840-B | Method and device for three-dimensional reconstruction of local orbit function based on scanning diffraction pattern | 清华大学 | 2024-08-27 | — | — | CN | disclosed |
| CN-117635840-A | Method and device for three-dimensional reconstruction of local orbit function based on scanning diffraction pattern | 清华大学 | 2024-03-01 | — | — | CN | disclosed |