⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9369659 | 0.82 | — | — | |
| SCHEMBL27609950 | 0.79 | — | — | |
| SCHEMBL27341051 | 0.79 | — | — | |
| SCHEMBL392820 | 0.76 | — | — | |
| SCHEMBL27571947 | 0.74 | — | — | |
| SCHEMBL7179426 | 0.72 | TAAR1 (0.34) | — | |
| SCHEMBL8283636 | 0.69 | MAPT (0.38) | — | |
| SCHEMBL10478063 | 0.69 | SLC6A2 (0.48) | — | |
| SCHEMBL12012896 | 0.69 | — | — | |
| SCHEMBL28322119 | 0.68 | SLC6A2 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109438717-B | Metal organic framework material and preparation method and application thereof | 暨南大学 | 2021-07-23 | — | — | CN | claimed |
| CN-109438717-B | Metal organic framework material and preparation method and application thereof | 暨南大学 | 2021-07-23 | — | — | CN | disclosed |
| CN-109438717-B | Metal organic framework material and preparation method and application thereof | 暨南大学 | 2021-07-23 | — | — | CN | disclosed |