⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16488397 | 0.72 | — | — | |
| SCHEMBL4272328 | 0.65 | — | — | |
| SCHEMBL996896 | 0.63 | — | — | |
| SCHEMBL16328139 | 0.60 | — | — | |
| SCHEMBL18994830 | 0.60 | — | — | |
| SCHEMBL16350941 | 0.60 | — | — | |
| SCHEMBL18176028 | 0.60 | — | — | |
| SCHEMBL11668902 | 0.59 | TSHR (0.30) | — | |
| SCHEMBL11655705 | 0.59 | ALDH1A1 (0.35) | — | |
| SCHEMBL4267224 | 0.58 | — | — |
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-2280040-B1 | Organopolysiloxane having amide group, and cosmetic material containing same | SHINETSU CHEMICAL CO (JP) | 2015-04-15 | — | — | EP | disclosed |