⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21767523 | 1.00 | — | — | |
| SCHEMBL21777328 | 0.88 | AAK1 (0.32) | — | |
| SCHEMBL21787494 | 0.81 | — | — | |
| SCHEMBL21767529 | 0.76 | MTNR1A (0.35) | — | |
| SCHEMBL21777282 | 0.76 | — | — | |
| SCHEMBL21777256 | 0.72 | — | — | |
| SCHEMBL31582946 | 0.71 | AAK1 (0.32) | — | |
| SCHEMBL21777972 | 0.67 | KDM4E (0.34) | — | |
| SCHEMBL31582553 | 0.66 | ABCB1 (0.38) | — | |
| SCHEMBL21787455 | 0.66 | KDM4E (0.37) | — |
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-118878533-A | Inhibition of αvβ6 integrin | 莫菲克医疗股份有限公司 | 2024-11-01 | — | — | CN | disclosed |
| CN-112805001-B | Inhibition of αvβ6 integrin | 莫菲克医疗股份有限公司 | 2024-07-23 | — | — | CN | disclosed |