⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3226095 | 0.65 | — | — | |
| SCHEMBL23499339 | 0.64 | KDM4E (0.31) | — | |
| SCHEMBL3376975 | 0.64 | — | — | |
| SCHEMBL17162698 | 0.64 | — | — | |
| SCHEMBL24230295 | 0.61 | USP2 (0.32) | — | |
| SCHEMBL30516232 | 0.59 | — | — | |
| SCHEMBL29889550 | 0.58 | — | — | |
| SCHEMBL2151309 | 0.57 | — | — | |
| SCHEMBL14126401 | 0.57 | — | — | |
| SCHEMBL14126181 | 0.57 | — | — |
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-107849023-A | Bicyclic lactams and methods of use thereof | 豪夫迈·罗氏有限公司 | 2018-03-27 | — | — | CN | disclosed |