⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6436338 | 0.93 | — | — | |
| Water SCHEMBL1335270 | 0.90 | DPP4 (0.31) | — | |
| Silicate SCHEMBL6843863 | 0.82 | — | — | |
| SCHEMBL6844421 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL1201203 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL3683085 | 0.74 | DPP4 (0.33) | — | |
| SCHEMBL1619053 | 0.72 | OPRM1 (0.36) | — | |
| SCHEMBL21645070 | 0.71 | — | — | |
| SCHEMBL1609437 | 0.71 | — | — | |
| SCHEMBL1982593 | 0.71 | — | — |
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 |