⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL504537 | 0.84 | — | — | |
| SCHEMBL23555162 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL12059273 | 0.82 | — | — | |
| SCHEMBL7191657 | 0.78 | — | — | |
| SCHEMBL15865785 | 0.78 | — | — | |
| SCHEMBL504586 | 0.76 | — | — | |
| SCHEMBL11941303 | 0.75 | SIRT2 (0.36) | — | |
| SCHEMBL25397359 | 0.75 | SIRT2 (0.39) | — | |
| SCHEMBL503714 | 0.73 | — | — | |
| SCHEMBL12059201 | 0.72 | — | — |
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-101494999-A | Method for using organic compound | GIVAUDAN SA (CH) | 2009-07-29 | — | — | CN | claimed |
| CN-101494999-A | Method for using organic compound | GIVAUDAN SA (CH) | 2009-07-29 | — | — | CN | disclosed |