⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7936217 | 0.81 | — | — | |
| SCHEMBL27652234 | 0.76 | EPHX1 (0.39) | — | |
| SCHEMBL5608046 | 0.71 | CYP2C19 (0.33) | — | |
| SCHEMBL741407 | 0.71 | MAPK1 (0.37) | — | |
| SCHEMBL1860545 | 0.71 | MAPK1 (0.37) | — | |
| SCHEMBL741406 | 0.71 | MAPK1 (0.37) | — | |
| SCHEMBL4002942 | 0.69 | PPM1B (0.33) | — | |
| SCHEMBL7600518 | 0.69 | EP300 (0.31) | — | |
| SCHEMBL13740855 | 0.69 | CYP2C19 (0.30) | — | |
| SCHEMBL9647530 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993011196-A1 | COMPOSITION WITH INTEGRATED INTUMESCENT PROPERTIES | CHEMISCHE FABRIK BUDENHEIM RUDOLF A. OETKER (DE) | 1993-06-10 | — | — | WO | disclosed |