⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2147291 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL28134690 | 0.66 | TSHR (0.38) | — | |
| SCHEMBL2876981 | 0.65 | — | — | |
| SCHEMBL27984273 | 0.64 | TSHR (0.35) | — | |
| Iodide SCHEMBL28791586 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL28125472 | 0.63 | — | — | |
| Fluoride SCHEMBL27833482 | 0.63 | — | — | |
| SCHEMBL2580674 | 0.62 | — | — | |
| SCHEMBL954048 | 0.62 | — | — | |
| SCHEMBL569937 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020012850-A1 | Silane compounds as additive in electrolytes for electrochemical cells | MERCK PATENTGESELLSCHAFT (DE) | 2002-01-31 | — | — | US | claimed |
| CN-1328355-A | Silane compound used as additives of electrochemical accumulator electrolyte | MERCK PATENT GMBH (DE) | 2001-12-26 | — | — | CN | claimed |
| EP-1162682-A1 | Silane compounds as additives in electrolytes of electrochemical cells | MERCK PATENT GmbH (DE) | 2001-12-12 | — | — | EP | claimed |
| CN-1328355-A | Silane compound used as additives of electrochemical accumulator electrolyte | MERCK PATENT GMBH (DE) | 2001-12-26 | — | — | CN | disclosed |
| EP-1162682-A1 | Silane compounds as additives in electrolytes of electrochemical cells | MERCK PATENT GmbH (DE) | 2001-12-12 | — | — | EP | disclosed |