⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11812828 | 0.81 | CA2 (0.35) | — | |
| SCHEMBL28245368 | 0.71 | — | — | |
| SCHEMBL966360 | 0.71 | — | — | |
| SCHEMBL21424545 | 0.71 | — | — | |
| SCHEMBL369010 | 0.69 | — | — | |
| SCHEMBL5749399 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL967631 | 0.65 | KDM4C (0.38) | — | |
| SCHEMBL9496579 | 0.65 | — | — | |
| SCHEMBL971096 | 0.65 | — | — | |
| SCHEMBL27911570 | 0.64 | ALDH1A1 (0.39) | — |
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-1997000872-A1 | 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 1997-01-09 | — | — | WO | disclosed |