⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10193195 | 0.72 | — | — | |
| SCHEMBL29268180 | 0.66 | — | — | |
| SCHEMBL9359340 | 0.64 | — | — | |
| SCHEMBL15634953 | 0.63 | — | — | |
| SCHEMBL2705118 | 0.63 | — | — | |
| SCHEMBL23495484 | 0.62 | — | — | |
| SCHEMBL2271344 | 0.61 | — | — | |
| SCHEMBL7455069 | 0.60 | — | — | |
| SCHEMBL5919651 | 0.59 | — | — | |
| SCHEMBL2991159 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120015961-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2012-01-19 | — | — | US | disclosed |
| US-4212937-A | NITROGEN-CONTAINING HETEROCYCLIC BASE | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1980-07-15 | — | — | US | disclosed |