⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1498916 | 0.71 | — | — | |
| SCHEMBL28103212 | 0.69 | NPSR1 (0.31) | — | |
| SCHEMBL537365 | 0.67 | — | — | |
| SCHEMBL28103220 | 0.65 | — | — | |
| SCHEMBL1076454 | 0.61 | — | — | |
| SCHEMBL3857558 | 0.61 | — | — | |
| SCHEMBL1004302 | 0.58 | — | — | |
| SCHEMBL10914722 | 0.58 | — | — | |
| SCHEMBL2322363 | 0.58 | — | — | |
| SCHEMBL18173528 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5939417-A | 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia | CELL PATHWAYS INC (US) | 1999-08-17 | — | — | US | disclosed |