⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27503069 | 0.78 | CHRM2 (0.40) | — | |
| SCHEMBL265587 | 0.76 | GAA (0.32) | — | |
| SCHEMBL34416 | 0.69 | — | — | |
| SCHEMBL21552154 | 0.69 | GAA (0.37) | — | |
| SCHEMBL5577804 | 0.60 | GAA (0.45) | — | |
| SCHEMBL27472259 | 0.57 | — | — | |
| SCHEMBL34946 | 0.54 | — | — | |
| SCHEMBL16611281 | 0.54 | — | — | |
| SCHEMBL24324419 | 0.53 | — | — | |
| SCHEMBL367022 | 0.53 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107343806-A | Methods, devices and systems for blood flow | 美多斯国际有限公司 | 2017-11-14 | — | — | CN | disclosed |