⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10828113 | 1.00 | — | — | |
| SCHEMBL18957402 | 0.88 | DRD3 (0.41) | — | |
| SCHEMBL10827721 | 0.88 | DRD3 (0.41) | — | |
| SCHEMBL3632233 | 0.86 | SIGMAR1 (0.34) | — | |
| SCHEMBL3342324 | 0.86 | GNAI3 (0.39) | — | |
| SCHEMBL20038487 | 0.86 | DRD3 (0.38) | — | |
| SCHEMBL19943440 | 0.79 | SIGMAR1 (0.41) | — | |
| SCHEMBL25176024 | 0.78 | — | — | |
| SCHEMBL2555175 | 0.78 | — | — | |
| SCHEMBL21062065 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0659178-A4 | CHIRAL QUINOLONE INTERMEDIATES. | ABBOTT LAB (US) | 1996-03-27 | — | — | EP | disclosed |
| EP-0659178-A1 | CHIRAL QUINOLONE INTERMEDIATES | ABBOTT LABORATORIES (US) | 1995-06-28 | — | — | EP | disclosed |
| WO-1994006766-A1 | CHIRAL QUINOLONE INTERMEDIATES | ABBOTT LABORATORIES (US) | 1994-03-31 | — | — | WO | disclosed |
| US-5252747-A | Chiral quinolone intermediates | ABBOTT LABORATORIES (US) | 1993-10-12 | — | — | US | disclosed |