⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2058397 | 0.88 | — | — | |
| SCHEMBL2057651 | 0.83 | — | — | |
| Alcohol SCHEMBL4436479 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL14336083 | 0.75 | MAPT (0.38) | — | |
| SCHEMBL28200546 | 0.75 | — | — | |
| Propanol SCHEMBL7751440 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL5509975 | 0.72 | — | — | |
| SCHEMBL9169132 | 0.72 | — | — | |
| SCHEMBL3338460 | 0.71 | FFAR3 (0.38) | — | |
| SCHEMBL8663088 | 0.71 | FFAR3 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108012525-A | Organosilicon for thermal protection | 美国道康宁公司 | 2018-05-08 | — | — | CN | disclosed |