⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1043200 | 0.89 | — | — | |
| SCHEMBL1044076 | 0.88 | — | — | |
| SCHEMBL6060737 | 0.81 | SIRT2 (0.33) | — | |
| SCHEMBL1044757 | 0.80 | CYP4F2 (0.30) | — | |
| SCHEMBL11620033 | 0.79 | CYP2C19 (0.31) | — | |
| SCHEMBL1044560 | 0.79 | — | — | |
| SCHEMBL8859121 | 0.79 | PTPN1 (0.31) | — | |
| SCHEMBL6060679 | 0.79 | SIRT2 (0.38) | — | |
| SCHEMBL27123245 | 0.77 | CYP2C19 (0.39) | — | |
| SCHEMBL1749522 | 0.77 | CYP3A4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5726182-A | TREATMENT OF BACTERIAL INFECTIONS | ABBOTT LABORATORIES (US) | 1998-03-10 | — | — | US | disclosed |
| US-5599816-A | BACTERICIDE | ABBOTT LABORATORIES (US) | 1997-02-04 | — | — | US | disclosed |
| WO-1996039407-A1 | QUINOLIZINONE TYPE COMPOUNDS | ABBOTT LABORATORIES (US) | 1996-12-12 | — | — | WO | disclosed |