⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10699557 | 0.79 | — | — | |
| SCHEMBL62028 | 0.77 | — | — | |
| SCHEMBL7711020 | 0.77 | — | — | |
| SCHEMBL15413816 | 0.77 | — | — | |
| SCHEMBL4629617 | 0.77 | — | — | |
| SCHEMBL19858593 | 0.71 | — | — | |
| SCHEMBL716250 | 0.71 | — | — | |
| SCHEMBL10698655 | 0.71 | — | — | |
| SCHEMBL23672285 | 0.70 | — | — | |
| SCHEMBL9478575 | 0.66 | — | — |
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-1995003355-A1 | SILICONE RESINS WITH THERMO- OR HYDRO-SENSITIVE, REVERSIBLE OR NON-REVERSIBLE CROSSLINKING NODES | RHONE-POULENC CHIMIE (FR) | 1995-02-02 | — | — | WO | disclosed |