⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21767754 | 1.00 | — | — | |
| SCHEMBL29429446 | 0.82 | P2RX7 (0.32) | — | |
| SCHEMBL21767697 | 0.82 | P2RX7 (0.32) | — | |
| SCHEMBL21784957 | 0.76 | ESR2 (0.37) | — | |
| SCHEMBL1345745 | 0.75 | ATM (0.37) | — | |
| SCHEMBL21780609 | 0.74 | PDE1C (0.34) | — | |
| SCHEMBL21767418 | 0.73 | SLC6A2 (0.30) | — | |
| SCHEMBL31071982 | 0.73 | SLC6A2 (0.30) | — | |
| SCHEMBL22650287 | 0.71 | OPRL1 (0.32) | — | |
| SCHEMBL21767543 | 0.71 | BACE1 (0.33) | — |
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 |