⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11348362 | 0.83 | — | — | |
| SCHEMBL6932628 | 0.80 | — | — | |
| SCHEMBL24043682 | 0.78 | — | — | |
| SCHEMBL6931477 | 0.76 | CA12 (0.31) | — | |
| SCHEMBL5568466 | 0.74 | NOS3 (0.35) | — | |
| SCHEMBL385800 | 0.74 | — | — | |
| SCHEMBL7248068 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL525131 | 0.70 | — | — | |
| SCHEMBL196772 | 0.70 | — | — | |
| SCHEMBL6645578 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230212119-A1 | N,N-DIMETHYLTRYPTAMINE AND RELATED PSYCHEDELICS AND USES THEREOF | TERRAN BIOSCIENCES INC. | 2023-07-06 | — | — | US | disclosed |
| CN-109988218-A | A kind of sarsasapogenin derivative and its preparation method and application | 中国科学院上海药物研究所 | 2019-07-09 | — | — | CN | disclosed |