⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL56600 | 0.79 | — | — | |
| SCHEMBL755034 | 0.77 | — | — | |
| SCHEMBL3805767 | 0.77 | — | — | |
| SCHEMBL28041388 | 0.77 | CES2 (0.39) | — | |
| SCHEMBL687763 | 0.74 | — | — | |
| SCHEMBL8614617 | 0.72 | — | — | |
| SCHEMBL95586 | 0.72 | — | — | |
| SCHEMBL1418878 | 0.72 | — | — | |
| SCHEMBL1747844 | 0.72 | — | — | |
| SCHEMBL1376758 | 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-109071525-A | dimeric compounds | 豪夫迈·罗氏有限公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-105143229-A | Substituted xanthines and methods of use thereof | HYDRA BIOSCIENCES INC | 2015-12-09 | — | — | CN | disclosed |