⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL211940 | 0.69 | — | — | |
| SCHEMBL3940534 | 0.69 | — | — | |
| SCHEMBL1431301 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6357187 | 0.67 | — | — | |
| SCHEMBL1056250 | 0.67 | — | — | |
| SCHEMBL3072550 | 0.67 | — | — | |
| SCHEMBL9689074 | 0.63 | — | — | |
| SCHEMBL80669 | 0.62 | — | — | |
| SCHEMBL27388931 | 0.62 | — | — | |
| SCHEMBL3890037 | 0.62 | — | — |
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-20050080113-A1 | Medicinal compositions | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-04-14 | — | — | US | disclosed |