⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL764276 | 0.75 | DAO (0.44) | — | |
| SCHEMBL754032 | 0.73 | KDM4E (0.38) | — | |
| SCHEMBL17471243 | 0.68 | NQO1 (0.37) | — | |
| SCHEMBL9286187 | 0.67 | CA12 (0.36) | — | |
| SCHEMBL1157876 | 0.65 | CA12 (0.32) | — | |
| SCHEMBL754836 | 0.64 | KDM4E (0.31) | — | |
| SCHEMBL5273365 | 0.64 | CA1 (0.35) | — | |
| SCHEMBL2298491 | 0.62 | ESR1 (0.40) | — | |
| SCHEMBL3773751 | 0.61 | NOTUM (0.34) | — | |
| SCHEMBL2326695 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3042894-A1 | ANTIVIRAL AGENT | SHIONOGI & CO., LTD. (JP) | 2016-07-13 | — | — | EP | disclosed |