⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1869674 | 1.00 | — | — | |
| SCHEMBL27467202 | 0.97 | FFAR4 (0.42) | — | |
| SCHEMBL27461812 | 0.95 | FFAR4 (0.50) | — | |
| SCHEMBL6434907 | 0.92 | FFAR1 (0.52) | — | |
| SCHEMBL8921629 | 0.90 | FFAR1 (0.55) | — | |
| SCHEMBL4959403 | 0.90 | FFAR1 (0.55) | — | |
| SCHEMBL904359 | 0.90 | FFAR1 (0.55) | — | |
| SCHEMBL9120165 | 0.90 | FFAR1 (0.55) | — | |
| SCHEMBL5678381 | 0.90 | FFAR1 (0.55) | — | |
| SCHEMBL1543206 | 0.90 | FFAR1 (0.55) | — |
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-105960246-A | Novel cyclosporin derivatives and use thereof | 美国科技环球有限公司 | 2016-09-21 | — | — | CN | disclosed |