⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3306197 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL11845673 | 0.75 | — | — | |
| SCHEMBL11142350 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL11531912 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL23047083 | 0.68 | — | — | |
| SCHEMBL6114034 | 0.68 | — | — | |
| SCHEMBL9432506 | 0.68 | — | — | |
| SCHEMBL4674255 | 0.68 | — | — | |
| SCHEMBL31542154 | 0.67 | NOS3 (0.32) | — | |
| SCHEMBL10625679 | 0.67 | L3MBTL1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0245913-B1 | Process for preparing 6,7-dihydro-5,8-dimethyl-9-fluoro-1-oxo-1H,5H-benzo[i,j]quinolizine-2-carboxylic acid | RIKER LABORATORIES, INC. (US) | 1992-03-25 | — | — | EP | claimed |
| US-4898945-A | Process for 6,7-dihydro-5,8-dimethyl-9-fluoro-1-oxo-1H,5H-benzo[i,j]quinolizine-2-carboxylic acid | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1990-02-06 | — | — | US | claimed |
| EP-0245913-A1 | Process for preparing 6,7-dihydro-5,8-dimethyl-9-fluoro-1-oxo-1H,5H-benzo[i,j]quinolizine-2-carboxylic acid | RIKER LABORATORIES, INC. (US) | 1987-11-19 | — | — | EP | claimed |