⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4396632 | 0.98 | — | — | |
| SCHEMBL27889190 | 0.79 | — | — | |
| SCHEMBL27952661 | 0.74 | — | — | |
| SCHEMBL28924116 | 0.66 | — | — | |
| SCHEMBL5141266 | 0.64 | — | — | |
| SCHEMBL5586171 | 0.62 | — | — | |
| SCHEMBL7877925 | 0.62 | — | — | |
| SCHEMBL3201610 | 0.62 | — | — | |
| SCHEMBL28318827 | 0.61 | BCHE (0.32) | — | |
| SCHEMBL431895 | 0.58 | — | — |
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-104853777-B | Pharmaceutical formulation | 摩瑞克斯开发伙伴有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-104853777-A | Pharmaceutical formulations | MOREX DEV PARTNERS LLP | 2015-08-19 | — | — | CN | disclosed |