⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13674736 | 0.77 | — | — | |
| Bromide SCHEMBL15863017 | 0.73 | MAPT (0.31) | — | |
| SCHEMBL9422309 | 0.72 | — | — | |
| SCHEMBL630803 | 0.72 | — | — | |
| SCHEMBL10785172 | 0.72 | MAPT (0.35) | — | |
| SCHEMBL11564793 | 0.71 | — | — | |
| SCHEMBL968264 | 0.71 | — | — | |
| SCHEMBL352718 | 0.71 | — | — | |
| SCHEMBL8667766 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL14139287 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4137267-A | Catalytic hydrogenation process | TEXACO INC. (US) | 1979-01-30 | — | — | US | claimed |
| US-4990672-A | Cyanoethylation polyamine; hydrogenation; reductive alkylation | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1991-02-05 | — | — | US | disclosed |
| US-4137267-A | Catalytic hydrogenation process | TEXACO INC. (US) | 1979-01-30 | — | — | US | disclosed |
| US-4137267-A | Catalytic hydrogenation process | TEXACO INC. (US) | 1979-01-30 | — | — | US | disclosed |