⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6284366 | 0.82 | — | — | |
| SCHEMBL18487774 | 0.81 | — | — | |
| SCHEMBL4245159 | 0.79 | — | — | |
| Water SCHEMBL450073 | 0.76 | — | — | |
| SCHEMBL284681 | 0.73 | — | — | |
| SCHEMBL16277005 | 0.72 | — | — | |
| SCHEMBL10035228 | 0.71 | — | — | |
| SCHEMBL14905942 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10804922 | 0.70 | KDM4E (0.53) | — | |
| Hydrochloric Acid SCHEMBL28112622 | 0.70 | KDM4E (0.53) | — |
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-9018374-B2 | Crystal of amide compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-04-28 | — | — | US | disclosed |