⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21029019 | 1.00 | — | — | |
| SCHEMBL20994800 | 0.79 | BCHE (0.31) | — | |
| SCHEMBL21029078 | 0.78 | — | — | |
| SCHEMBL19833655 | 0.78 | — | — | |
| SCHEMBL21029077 | 0.78 | — | — | |
| SCHEMBL20994755 | 0.78 | — | — | |
| SCHEMBL19833656 | 0.78 | — | — | |
| SCHEMBL21029508 | 0.75 | MCHR1 (0.35) | — | |
| SCHEMBL15306030 | 0.72 | KCNH2 (0.32) | — | |
| SCHEMBL21116508 | 0.70 | HTR1A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10934278-B2 | Compounds | AUTIFONY THERAPEUTICS LIMITED (GB) | 2021-03-02 | — | — | US | disclosed |
| US-20190161479-A1 | NOVEL COMPOUNDS | AUTIFONY SRL (IT) | 2019-05-30 | — | — | US | disclosed |