⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18868585 | 1.00 | — | — | |
| SCHEMBL18493986 | 0.84 | — | — | |
| SCHEMBL18400250 | 0.84 | — | — | |
| SCHEMBL21781944 | 0.81 | — | — | |
| SCHEMBL23467534 | 0.78 | — | — | |
| SCHEMBL13970081 | 0.78 | — | — | |
| SCHEMBL20710566 | 0.78 | — | — | |
| SCHEMBL25466179 | 0.74 | — | — | |
| SCHEMBL22702817 | 0.73 | — | — | |
| SCHEMBL26174429 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011072241-A9 | 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | WO | disclosed |