⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7064870 | 0.78 | — | — | |
| SCHEMBL3098927 | 0.76 | — | — | |
| Water SCHEMBL28240439 | 0.76 | GABRP (0.50) | — | |
| SCHEMBL35490 | 0.76 | — | — | |
| SCHEMBL17393286 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL1024331 | 0.74 | GABRP (0.48) | — | |
| SCHEMBL30725511 | 0.74 | GABRP (0.48) | — | |
| Hydrochloric Acid SCHEMBL7043007 | 0.74 | GABRP (0.48) | — | |
| SCHEMBL15669322 | 0.74 | GABRP (0.48) | — | |
| SCHEMBL5050240 | 0.74 | GABRP (0.48) | — |
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-107072993-B | Pharmaceutical containing sodium-dependent phosphate transporter inhibitor | 中外制药株式会社 | 2021-02-12 | — | — | CN | disclosed |