⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5482839 | 0.73 | ADRA1A (0.32) | — | |
| SCHEMBL3438344 | 0.73 | — | — | |
| SCHEMBL7403559 | 0.71 | — | — | |
| SCHEMBL21961599 | 0.70 | — | — | |
| SCHEMBL4389129 | 0.69 | — | — | |
| SCHEMBL12348668 | 0.67 | IDO1 (0.45) | — | |
| SCHEMBL2951376 | 0.67 | PDE4A (0.42) | — | |
| SCHEMBL14720995 | 0.67 | — | — | |
| SCHEMBL3222898 | 0.65 | — | — | |
| SCHEMBL20532 | 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-110352062-A | The stabilization formulations of immune regulative macrolides | 豪夫迈·罗氏有限公司 | 2019-10-18 | — | — | CN | disclosed |
| CN-109689027-A | Triglycerides aural preparations and application thereof | 奥德纳米有限公司 | 2019-04-26 | — | — | CN | disclosed |