⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2107431 | 0.72 | — | — | |
| SCHEMBL2108229 | 0.71 | — | — | |
| SCHEMBL2811013 | 0.70 | — | — | |
| SCHEMBL2803887 | 0.70 | — | — | |
| SCHEMBL9009883 | 0.69 | — | — | |
| SCHEMBL20601569 | 0.67 | — | — | |
| SCHEMBL9028278 | 0.67 | — | — | |
| SCHEMBL2108351 | 0.67 | — | — | |
| SCHEMBL1866058 | 0.65 | — | — | |
| SCHEMBL5347712 | 0.65 | — | — |
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-101309900-B | Substituted cycloalkene derivative | DAIICHI SANKYO CO LTD | 2015-04-22 | — | — | CN | disclosed |
| CN-101309900-A | Substituted cycloalkene derivative | DAIICHI SANKYO CO LTD (JP) | 2008-11-19 | — | — | CN | disclosed |