⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11788797 | 1.00 | — | — | |
| SCHEMBL5980820 | 0.72 | MAOA (0.35) | — | |
| SCHEMBL11448674 | 0.72 | MAOA (0.35) | — | |
| SCHEMBL5980823 | 0.72 | MAOA (0.35) | — | |
| SCHEMBL164856 | 0.72 | MAOA (0.35) | — | |
| SCHEMBL80947 | 0.72 | MAOA (0.35) | — | |
| SCHEMBL11455934 | 0.71 | — | — | |
| SCHEMBL11455932 | 0.71 | — | — | |
| SCHEMBL11447901 | 0.71 | — | — | |
| SCHEMBL11455933 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3957877-A | PERFUMES, FLAVORS, FOODS | FIRMENICH S.A. (CH) | 1976-05-18 | — | — | US | disclosed |