⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6663492 | 0.79 | — | — | |
| SCHEMBL1745100 | 0.74 | — | — | |
| SCHEMBL2959975 | 0.71 | — | — | |
| SCHEMBL1392324 | 0.70 | — | — | |
| SCHEMBL11042501 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL11042494 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL843128 | 0.70 | — | — | |
| SCHEMBL7874059 | 0.69 | — | — | |
| SCHEMBL3503633 | 0.69 | — | — | |
| SCHEMBL17816366 | 0.69 | — | — |
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-0400403-A2 | N-aryl-nitrogen-heterocycles | BAYER AG (DE) | 1990-12-05 | — | — | EP | disclosed |