⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9640382 | 0.76 | — | — | |
| SCHEMBL9292897 | 0.75 | — | — | |
| SCHEMBL27878775 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL7328511 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL3296616 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL11808322 | 0.68 | — | — | |
| SCHEMBL16859339 | 0.67 | ALDH1A1 (0.36) | — | |
| Ether SCHEMBL10423293 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL9774999 | 0.65 | MAPT (0.41) | — | |
| SCHEMBL9774997 | 0.65 | MAPT (0.41) | — |
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-5331067-A | Acrylic polymers containing trimethylsiloxy groups | PERMEABLE TECHNOLOGIES, INC. (US) | 1994-07-19 | — | — | US | disclosed |