⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2479593 | 0.91 | — | — | |
| Bicarbonate SCHEMBL5274866 | 0.84 | PLG (0.40) | — | |
| SCHEMBL16892307 | 0.84 | PLG (0.38) | — | |
| SCHEMBL15478106 | 0.84 | PLG (0.38) | — | |
| SCHEMBL12424289 | 0.84 | ESR1 (0.33) | — | |
| SCHEMBL1316560 | 0.83 | ESR2 (0.46) | — | |
| SCHEMBL130642 | 0.83 | ESR2 (0.46) | — | |
| SCHEMBL27912 | 0.83 | ESR2 (0.46) | — | |
| SCHEMBL2267415 | 0.83 | ESR2 (0.46) | — | |
| SCHEMBL4610 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-5155847-A | — | — | None | — | — | JP | disclosed |