⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6209702 | 0.72 | TAAR1 (0.31) | — | |
| SCHEMBL7000729 | 0.71 | — | — | |
| SCHEMBL17959493 | 0.68 | ALOX15 (0.32) | — | |
| SCHEMBL28528098 | 0.68 | — | — | |
| SCHEMBL21698039 | 0.67 | — | — | |
| SCHEMBL6185483 | 0.61 | TAAR1 (0.33) | — | |
| SCHEMBL19291028 | 0.58 | — | — | |
| SCHEMBL23127828 | 0.57 | — | — | |
| SCHEMBL1541904 | 0.57 | — | — | |
| SCHEMBL4014120 | 0.56 | — | — |
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-106554305-B | Marker, preparation method thereof, marking method and application | 上海医药临床研究中心 | 2020-11-03 | — | — | CN | claimed |
| CN-106554305-B | Marker, preparation method thereof, marking method and application | 上海医药临床研究中心 | 2020-11-03 | — | — | CN | disclosed |