⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL818771 | 0.69 | — | — | |
| Methyl Alcohol SCHEMBL8043491 | 0.61 | TSHR (0.80) | — | |
| Hydrogen Peroxide SCHEMBL2635895 | 0.61 | TSHR (0.80) | — | |
| Acetone SCHEMBL27912055 | 0.60 | TSHR (0.61) | — | |
| Bicarbonate SCHEMBL27668414 | 0.60 | TSHR (0.61) | — | |
| SCHEMBL28236221 | 0.60 | TDP1 (1.00) | — | |
| SCHEMBL14861 | 0.60 | TDP1 (1.00) | — | |
| SCHEMBL8217980 | 0.59 | — | — | |
| SCHEMBL1358766 | 0.58 | — | — | |
| Tert-Butanol SCHEMBL27811401 | 0.58 | TSHR (0.73) | — |
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-6300453-B1 | CONTAINING SILANETRIOL CROSSLINKING AGENT AND TITANIUM CATALYST | DOW CORNING S.A. (BE) | 2001-10-09 | — | — | US | claimed |
| EP-0916702-A1 | Curable polyorganosiloxane compositions | DOW CORNING S.A. (BE) | 1999-05-19 | — | — | EP | claimed |
| US-6300453-B1 | CONTAINING SILANETRIOL CROSSLINKING AGENT AND TITANIUM CATALYST | DOW CORNING S.A. (BE) | 2001-10-09 | — | — | US | disclosed |
| EP-0916702-A1 | Curable polyorganosiloxane compositions | DOW CORNING S.A. (BE) | 1999-05-19 | — | — | EP | disclosed |