⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2634501 | 0.80 | — | — | |
| SCHEMBL16799118 | 0.77 | MAPT (0.35) | — | |
| SCHEMBL17395709 | 0.76 | — | — | |
| SCHEMBL28323668 | 0.74 | ADRA2A (0.32) | — | |
| SCHEMBL27929676 | 0.74 | SPHK2 (0.41) | — | |
| SCHEMBL4093678 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL18888913 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL27293499 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL4099643 | 0.70 | MEN1 (0.41) | — | |
| Biguanide SCHEMBL28987306 | 0.68 | TSHR (0.36) | — |
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-116004509-A | Tissue engineering skin with multilayer epidermal cells and preparation method and application thereof | 中国科学院理化技术研究所 | 2023-04-25 | — | — | CN | claimed |
| CN-116004509-A | Tissue engineering skin with multilayer epidermal cells and preparation method and application thereof | 中国科学院理化技术研究所 | 2023-04-25 | — | — | CN | disclosed |