⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4782245 | 0.76 | — | — | |
| SCHEMBL78668 | 0.74 | — | — | |
| SCHEMBL1705892 | 0.70 | — | — | |
| SCHEMBL10828748 | 0.67 | — | — | |
| SCHEMBL7166042 | 0.67 | — | — | |
| SCHEMBL11397714 | 0.67 | — | — | |
| SCHEMBL10840834 | 0.67 | — | — | |
| SCHEMBL11032703 | 0.67 | — | — | |
| SCHEMBL8517556 | 0.67 | — | — | |
| SCHEMBL16970133 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0436135-B1 | Method of making dibutyltinoxide containing catalyst pastes and use thereof | HERBERTS & CO GMBH (DE) | 1994-07-27 | — | — | EP | disclosed |
| US-5176804-A | PROCESS FOR THE PRODUCTION OF CATALYST PASTES CONTAINING DIBUTYLTIN OXIDE AND THE USE THEREOF | HERBERTS GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-01-05 | — | — | US | disclosed |
| EP-0436135-A1 | Method of making dibutyltinoxide containing catalyst pastes and use thereof | Herberts Gesellschaft mit beschränkter Haftung (DE) | 1991-07-10 | — | — | EP | disclosed |