⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4077937 | 1.00 | — | — | |
| SCHEMBL82185 | 0.76 | — | — | |
| SCHEMBL1642291 | 0.76 | — | — | |
| SCHEMBL1642290 | 0.76 | — | — | |
| SCHEMBL82184 | 0.76 | — | — | |
| SCHEMBL7290513 | 0.74 | — | — | |
| SCHEMBL7290507 | 0.74 | — | — | |
| SCHEMBL3155054 | 0.71 | CASP1 (0.31) | — | |
| SCHEMBL6559555 | 0.71 | — | — | |
| SCHEMBL3155048 | 0.71 | CASP1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2158205-B1 | 3,3-SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS | HOFFMANN LA ROCHE (CH) | 2011-12-07 | — | — | EP | disclosed |
| US-7553833-B2 | Rac-(3S,4R,5S)-6'-chloro-3-(3-chlorophenyl)-1,1',2,2',3,5,6,7-octahydro-5-methoxy-spiro[4H-azepine-4,3'-[3H]-indole]-2',7-dione; anticarcinogenic, -tumor, -proliferative agents; ; murine double minute2 (mdm2) antagonists allows accumulation of p53, cell cycle arrest and/or apoptosis | HOFFMANN-LA ROCHE INC. (US) | 2009-06-30 | — | — | US | disclosed |
| US-20080287421-A1 | 3,3-SPIROINDOLINONE DERIVATIVES | LIU JIN-JUN | 2008-11-20 | — | — | US | disclosed |