⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL923 | 0.74 | — | — | |
| Thiourea SCHEMBL850383 | 0.74 | — | — | |
| Thiourea SCHEMBL1008 | 0.74 | — | — | |
| SCHEMBL1431301 | 0.73 | — | — | |
| Trifluoroacetic Acid SCHEMBL6507202 | 0.70 | TSHR (0.40) | — | |
| Thiourea SCHEMBL8948097 | 0.68 | — | — | |
| Thiourea SCHEMBL5590390 | 0.68 | — | — | |
| Thiourea SCHEMBL9549968 | 0.68 | — | — | |
| Thiourea SCHEMBL619321 | 0.68 | — | — | |
| Thiourea SCHEMBL1904027 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2673278-A1 | N-[3-(5-AMINO-3,3A,7,7A-TETRAHYDRO-1H-2,4-DIOXA-6-AZA-INDEN-7-YL)-PHENYL]-AMIDES AS BACE1 AND/OR BACE2 INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012107371-A1 | N-[3-(5-AMINO-3,3A,7,7A-TETRAHYDRO-1H-2,4-DIOXA-6-AZA-INDEN-7-YL)-PHENYL]-AMIDES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |