⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36528 | 0.96 | — | — | |
| SCHEMBL1422350 | 0.96 | ALDH1A1 (0.44) | — | |
| Methane SCHEMBL28300736 | 0.92 | — | — | |
| SCHEMBL28488745 | 0.92 | — | — | |
| Acetone SCHEMBL9445711 | 0.92 | LMNA (0.46) | — | |
| Acetone SCHEMBL27988781 | 0.92 | LMNA (0.46) | — | |
| Ethylene SCHEMBL10778933 | 0.89 | — | — | |
| Methylamine SCHEMBL18641328 | 0.89 | — | — | |
| Formaldehyde SCHEMBL11219152 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL8024658 | 0.89 | ALDH1A1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4083861-A | Unsaturated silicon organic compounds containing keto groups | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) | 1978-04-11 | — | — | US | claimed |
| US-4924021-A | Cyclic phenol organosilanes and method for their preparation | HUELS AKTIENGESELLSCHAFT (DE) | 1990-05-08 | — | — | US | disclosed |
| US-4083861-A | Unsaturated silicon organic compounds containing keto groups | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) | 1978-04-11 | — | — | US | disclosed |
| US-4060539-A | Sulfurous organic silicon compounds, a process for their preparation, and their use as adhesivizing agents | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) | 1977-11-29 | — | — | US | disclosed |