⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6850261 | 0.71 | — | — | |
| SCHEMBL6850234 | 0.67 | — | — | |
| SCHEMBL6850203 | 0.65 | — | — | |
| SCHEMBL6850207 | 0.64 | — | — | |
| SCHEMBL19314571 | 0.62 | — | — | |
| SCHEMBL4554901 | 0.61 | KDM4E (0.36) | — | |
| SCHEMBL6850184 | 0.61 | KDM4E (0.47) | — | |
| Hydrochloric Acid SCHEMBL20262983 | 0.60 | KDM4E (0.35) | — | |
| SCHEMBL2355104 | 0.57 | — | — | |
| SCHEMBL7323517 | 0.57 | MMP1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011036885-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2011-03-31 | — | — | WO | disclosed |