⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL208007 | 0.81 | PPM1B (0.33) | — | |
| SCHEMBL3742134 | 0.78 | PPM1B (0.34) | — | |
| SCHEMBL15611571 | 0.78 | — | — | |
| SCHEMBL637634 | 0.76 | PPM1B (0.35) | — | |
| SCHEMBL28762309 | 0.72 | — | — | |
| SCHEMBL3741983 | 0.72 | PPM1B (0.33) | — | |
| SCHEMBL3743149 | 0.71 | — | — | |
| SCHEMBL15611801 | 0.71 | PPM1B (0.33) | — | |
| SCHEMBL10431678 | 0.69 | — | — | |
| SCHEMBL3744193 | 0.69 | PPM1B (0.33) | — |
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-4450264-A | CROSSLINKED COPOLYMER OF A TRIS/TRIMETHYLSILOXY/SILYL ALKYL OR CYCLOHEXYL ACRYLATE; OXYGEN PERMEABILITY | POLYMATIC INVESTMENT CORP., N.V. (NL) | 1984-05-22 | — | — | US | disclosed |