⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL1334080 | 0.84 | — | — | |
| Silicate SCHEMBL6844625 | 0.81 | — | — | |
| SCHEMBL6847112 | 0.79 | — | — | |
| Silicate SCHEMBL6844419 | 0.68 | TSHR (0.30) | — | |
| Silicate SCHEMBL6844413 | 0.67 | — | — | |
| SCHEMBL113474 | 0.65 | — | — | |
| Silicate SCHEMBL8428154 | 0.64 | — | — | |
| SCHEMBL1132201 | 0.64 | — | — | |
| SCHEMBL12364553 | 0.62 | — | — | |
| Water SCHEMBL142594 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040220066-A1 | Stripper | ROHM AND HAAS ELECTRONIC MATERIALS, L.L.C. | 2004-11-04 | — | — | US | claimed |
| US-20040220066-A1 | Stripper | ROHM AND HAAS ELECTRONIC MATERIALS, L.L.C. | 2004-11-04 | — | — | US | disclosed |