⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1728025 | 1.00 | — | — | |
| SCHEMBL1726872 | 0.80 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL18413082 | 0.77 | — | — | |
| SCHEMBL11394926 | 0.77 | RNPEP (0.36) | — | |
| SCHEMBL11391606 | 0.77 | — | — | |
| SCHEMBL1728207 | 0.77 | TP53 (0.45) | — | |
| SCHEMBL4886125 | 0.76 | — | — | |
| SCHEMBL13275294 | 0.76 | — | — | |
| SCHEMBL18434131 | 0.76 | — | — | |
| SCHEMBL9888693 | 0.76 | — | — |
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-20120156732-A1 | USEFUL POLYPEPTIDES | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2012-06-21 | — | — | US | disclosed |