⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6845205 | 0.85 | TSHR (0.33) | — | |
| SCHEMBL6847282 | 0.83 | BBOX1 (0.37) | — | |
| SCHEMBL6844475 | 0.83 | BBOX1 (0.37) | — | |
| Tetrylammonium SCHEMBL418875 | 0.79 | TSHR (0.57) | — | |
| Tetramethylammonium Ion SCHEMBL136726 | 0.76 | CHRNB2 (0.40) | — | |
| SCHEMBL7545887 | 0.76 | — | — | |
| SCHEMBL232317 | 0.76 | — | — | |
| Tetramethylammonium Ion SCHEMBL4007649 | 0.72 | CHRNB2 (0.36) | — | |
| SCHEMBL7547570 | 0.72 | — | — | |
| Bicarbonate SCHEMBL2277691 | 0.71 | BBOX1 (0.44) | — |
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 |