⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28514575 | 0.87 | CYP1A2 (0.33) | — | |
| SCHEMBL10190116 | 0.75 | PHGDH (0.32) | — | |
| SCHEMBL10427524 | 0.72 | KMT2A (0.42) | — | |
| SCHEMBL11212318 | 0.70 | CCR5 (0.36) | — | |
| SCHEMBL10862800 | 0.68 | LPAR1 (0.33) | — | |
| SCHEMBL10203447 | 0.68 | MEN1 (0.32) | — | |
| SCHEMBL10203454 | 0.68 | MEN1 (0.32) | — | |
| SCHEMBL10190103 | 0.68 | MEN1 (0.32) | — | |
| SCHEMBL23268045 | 0.68 | PHGDH (0.33) | — | |
| SCHEMBL6496554 | 0.68 | GRIN1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108114273-B | Perfluorocarbon albumin nanoparticles and preparation method and application thereof | 南京大学 | 2020-12-22 | — | — | CN | disclosed |