⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL208822 | 0.76 | ACHE (0.61) | — | |
| SCHEMBL16301269 | 0.76 | ACHE (0.61) | — | |
| SCHEMBL2413210 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL28008993 | 0.73 | ACHE (0.57) | — | |
| SCHEMBL277305 | 0.73 | ACHE (0.57) | — | |
| P-Xylene SCHEMBL27705396 | 0.71 | ACHE (0.80) | — | |
| P-Xylene SCHEMBL6907583 | 0.71 | ACHE (0.80) | — | |
| SCHEMBL8381344 | 0.71 | ACHE (0.44) | — | |
| P-Xylene SCHEMBL11770184 | 0.71 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL771 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0514034-B1 | Silane products from reaction of solid silicon monoxide with aromatic halides | DOW CORNING (US) | 1996-02-28 | — | — | EP | disclosed |
| EP-0514034-A1 | Silane products from reaction of solid silicon monoxide with aromatic halides | DOW CORNING CORPORATION (US) | 1992-11-19 | — | — | EP | disclosed |
| US-5120520-A | In presence of metal or metal-contianing catalyst | DOW CORNING CORPORATION (US) | 1992-06-09 | — | — | US | disclosed |