⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL76009 | 0.82 | — | — | |
| SCHEMBL29180182 | 0.77 | PTPN1 (0.37) | — | |
| SCHEMBL29005771 | 0.75 | CA12 (0.31) | — | |
| SCHEMBL1231501 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL11566227 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL5688192 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL29091932 | 0.72 | — | — | |
| SCHEMBL3686661 | 0.72 | — | — | |
| SCHEMBL1230716 | 0.72 | IRAK4 (0.32) | — | |
| SCHEMBL2265983 | 0.72 | POLB (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5654309-A | KIDNEY, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-08-05 | — | — | US | disclosed |