⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1053157 | 0.80 | — | — | |
| SCHEMBL27998105 | 0.78 | — | — | |
| Water SCHEMBL9445863 | 0.78 | — | — | |
| SCHEMBL10829291 | 0.77 | — | — | |
| Ethylene SCHEMBL27405348 | 0.74 | — | — | |
| SCHEMBL296237 | 0.73 | — | — | |
| SCHEMBL10415245 | 0.71 | NQO1 (0.35) | — | |
| SCHEMBL28421216 | 0.71 | NR5A1 (0.41) | — | |
| SCHEMBL27627658 | 0.71 | — | — | |
| SCHEMBL2945621 | 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-0777697-A4 | CURABLE SILICONE SEALANT/ADHESIVE COMPOSITIONS | LOCTITE CORP (US) | 1998-08-19 | — | — | EP | claimed |
| EP-0777697-A1 | CURABLE SILICONE SEALANT/ADHESIVE COMPOSITIONS | LOCTITE CORPORATION (US) | 1997-06-11 | — | — | EP | claimed |
| WO-1996039458-A1 | CURABLE SILICONE SEALANT/ADHESIVE COMPOSITIONS | LOCTITE CORPORATION (US) | 1996-12-12 | — | — | WO | claimed |