⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17751398 | 0.71 | — | — | |
| SCHEMBL17898110 | 0.62 | — | — | |
| SCHEMBL16938282 | 0.62 | — | — | |
| SCHEMBL1470041 | 0.62 | — | — | |
| SCHEMBL11214840 | 0.62 | — | — | |
| SCHEMBL26676516 | 0.61 | — | — | |
| SCHEMBL15203326 | 0.61 | — | — | |
| SCHEMBL5711130 | 0.61 | — | — | |
| SCHEMBL5182585 | 0.60 | — | — | |
| SCHEMBL27649160 | 0.59 | — | — |
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-3072915-A1 | GEL PASTE COMPOSITION AND COSMETIC USING THE GEL PASTE COMPOSITION | Shin-Etsu Chemical Co., Ltd. (JP) | 2016-09-28 | — | — | EP | disclosed |