⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7934133 | 0.81 | — | — | |
| SCHEMBL9799140 | 0.77 | CASP2 (0.31) | — | |
| SCHEMBL1137844 | 0.72 | — | — | |
| SCHEMBL7924046 | 0.72 | — | — | |
| SCHEMBL7924051 | 0.72 | — | — | |
| SCHEMBL1756558 | 0.70 | — | — | |
| SCHEMBL221493 | 0.69 | — | — | |
| SCHEMBL221492 | 0.69 | — | — | |
| SCHEMBL9069727 | 0.67 | — | — | |
| SCHEMBL3061990 | 0.66 | TSHR (0.35) | — |
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-6268440-B1 | MIXING WATER BASED COMPOSITE RESINS AND POLYSILOXANES WITH CONDENSATION REACTION, DISPERSION AND DISSOLVING | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-07-31 | — | — | US | disclosed |