⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28627305 | 0.93 | AKR1C1 (0.32) | — | |
| SCHEMBL28616087 | 0.91 | CYP2C19 (0.33) | — | |
| SCHEMBL28616692 | 0.88 | CYP2D6 (0.33) | — | |
| SCHEMBL2488949 | 0.86 | FFAR3 (0.31) | — | |
| SCHEMBL28615999 | 0.84 | CYP2D6 (0.32) | — | |
| SCHEMBL28247059 | 0.77 | AKR1C1 (0.33) | — | |
| SCHEMBL2358074 | 0.77 | HDAC4 (0.33) | — | |
| SCHEMBL9487687 | 0.72 | — | — | |
| SCHEMBL28629369 | 0.72 | CYP2D6 (0.35) | — | |
| SCHEMBL15074623 | 0.71 | SMN1; SMN2 (0.38) | — |
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-108699380-B | Granulating stabilizer for multi-color pattern coating | 圣诺普科有限公司 | 2021-09-03 | — | — | CN | disclosed |