⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18579395 | 0.75 | — | — | |
| SCHEMBL4759486 | 0.74 | — | — | |
| SCHEMBL17845847 | 0.62 | — | — | |
| SCHEMBL2472439 | 0.61 | — | — | |
| SCHEMBL9264206 | 0.60 | — | — | |
| SCHEMBL1747700 | 0.60 | — | — | |
| SCHEMBL8090542 | 0.60 | — | — | |
| SCHEMBL8121239 | 0.60 | — | — | |
| SCHEMBL9447794 | 0.59 | — | — | |
| SCHEMBL7350093 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001079205-A1 | BENZO[H][1,6]NAPHTHYRIDINE AND AZEPINO[3,2C]QUINOLINE IMINO-ETHERS, PREPARATION METHOD AND THERAPEUTIC USE THEREOF | UNIVERSITE DE CAEN BASSE-NORMANDIE (FR) | 2001-10-25 | — | — | WO | disclosed |