⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9206040 | 0.94 | — | — | |
| SCHEMBL9207996 | 0.86 | IKBKB (0.47) | — | |
| SCHEMBL9216160 | 0.86 | — | — | |
| SCHEMBL607425 | 0.84 | — | — | |
| SCHEMBL10188185 | 0.82 | — | — | |
| SCHEMBL9215715 | 0.80 | — | — | |
| SCHEMBL607961 | 0.80 | — | — | |
| SCHEMBL9739540 | 0.80 | — | — | |
| SCHEMBL9206991 | 0.80 | IKBKB (0.48) | — | |
| SCHEMBL608980 | 0.79 | — | — |
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-0424802-B1 | Tricyclic quinoline antineoplastic agents | ABBOTT LAB (US) | 1995-12-20 | — | — | EP | disclosed |
| US-5071848-A | TRICYCLIC QUINOLINE ANTINEOPLASTIC AGENTS | ABBOTT LABORATORIES (US) | 1991-12-10 | — | — | US | disclosed |
| EP-0424802-A2 | Tricyclic quinoline antineoplastic agents | ABBOTT LABORATORIES (US) | 1991-05-02 | — | — | EP | disclosed |