⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7920272 | 0.88 | HTT (0.34) | — | |
| SCHEMBL10237059 | 0.87 | LMNA (0.32) | — | |
| SCHEMBL7899801 | 0.85 | KDM4E (0.34) | — | |
| SCHEMBL12462544 | 0.85 | KDM4E (0.34) | — | |
| SCHEMBL935993 | 0.85 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL195473 | 0.84 | KDM4E (0.34) | — | |
| SCHEMBL7914748 | 0.82 | HTT (0.34) | — | |
| SCHEMBL7911525 | 0.82 | EPHX2 (0.34) | — | |
| SCHEMBL7918281 | 0.81 | S1PR4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL195511 | 0.81 | HTT (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-2010098487-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-09-02 | — | — | WO | disclosed |