⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11852461 | 0.79 | — | — | |
| SCHEMBL8670281 | 0.77 | — | — | |
| SCHEMBL11443506 | 0.77 | — | — | |
| SCHEMBL10364270 | 0.74 | — | — | |
| SCHEMBL8122373 | 0.74 | — | — | |
| SCHEMBL11444933 | 0.74 | — | — | |
| Formaldehyde SCHEMBL11852196 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL11852113 | 0.70 | CES1 (0.33) | — | |
| SCHEMBL11858617 | 0.70 | TDP1 (0.43) | — | |
| SCHEMBL22735035 | 0.69 | TSHR (0.42) | — |
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-4952695-A | Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid, intermediate for antibacterials | BAYER AKTIENGESELLSCHAFT (DE) | 1990-08-28 | — | — | US | disclosed |
| US-4556658-A | 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acids and antibacterial agents containing these compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1985-12-03 | — | — | US | disclosed |