⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5390166 | 1.00 | — | — | |
| SCHEMBL5390165 | 1.00 | — | — | |
| SCHEMBL10345742 | 1.00 | — | — | |
| SCHEMBL9295501 | 0.97 | — | — | |
| SCHEMBL7775025 | 0.97 | — | — | |
| SCHEMBL49249 | 0.97 | — | — | |
| SCHEMBL9296085 | 0.97 | — | — | |
| SCHEMBL2335377 | 0.97 | — | — | |
| SCHEMBL3169183 | 0.97 | — | — | |
| SCHEMBL12679170 | 0.97 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0152953-B1 | WATER-IN-VOLATILE SILICONE EMULSIFIER CONCENTRATES, WATER-IN-VOLATILE SILICONE EMULSIONS THAT ARE USEFUL IN PERSONAL-CARE FORMULATIONS AND METHODS OF MAKING SAME | UNION CARBIDE CORPORATION (US) | 1990-03-07 | — | — | EP | claimed |