⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7849726 | 0.93 | LMNA (0.30) | — | |
| SCHEMBL7849348 | 0.89 | KDM4E (0.39) | — | |
| SCHEMBL7851435 | 0.87 | — | — | |
| SCHEMBL7850907 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL7851222 | 0.85 | CYP3A4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7848827 | 0.85 | ALDH1A1 (0.35) | — | |
| Bromide SCHEMBL7841713 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL7849723 | 0.81 | LMNA (0.41) | — | |
| SCHEMBL7849611 | 0.80 | — | — | |
| SCHEMBL7851709 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0726270-B1 | Derivatives of 1,6-naphthyridone carboxylic acids | BAYER AG (DE) | 2001-05-23 | — | — | EP | disclosed |
| EP-0726270-A1 | Derivatives of 1,6-naphthyridine carboxylic acids | BAYER AG (DE) | 1996-08-14 | — | — | EP | disclosed |