⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4842000 | 0.95 | — | — | |
| SCHEMBL5836397 | 0.95 | CA1 (0.36) | — | |
| SCHEMBL27690541 | 0.95 | — | — | |
| SCHEMBL3141792 | 0.95 | — | — | |
| SCHEMBL27241853 | 0.91 | CA1 (0.33) | — | |
| SCHEMBL28135356 | 0.91 | CA1 (0.33) | — | |
| SCHEMBL27936582 | 0.91 | — | — | |
| Water SCHEMBL991250 | 0.91 | CA1 (0.33) | — | |
| SCHEMBL21694771 | 0.91 | — | — | |
| Bicarbonate SCHEMBL27686758 | 0.91 | CA1 (0.46) | — |
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-109219444-A | peptide for hair growth | 临床干细胞有限公司 | 2019-01-15 | — | — | CN | disclosed |