⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8201022 | 1.00 | — | — | |
| SCHEMBL8089767 | 1.00 | — | — | |
| SCHEMBL8083215 | 0.80 | KCNH2 (0.32) | — | |
| SCHEMBL8097423 | 0.78 | KDM1A (0.31) | — | |
| SCHEMBL8083212 | 0.74 | NOS3 (0.30) | — | |
| SCHEMBL7851192 | 0.71 | NFKB1 (0.39) | — | |
| SCHEMBL8693432 | 0.71 | NFKB1 (0.39) | — | |
| SCHEMBL7851194 | 0.71 | NFKB1 (0.39) | — | |
| SCHEMBL7851189 | 0.71 | NFKB1 (0.39) | — | |
| SCHEMBL8094739 | 0.71 | NFKB1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6018054-A | INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-01-25 | — | — | US | disclosed |
| US-5556979-A | ANIMAL FEEDS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-09-17 | — | — | US | disclosed |