⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3884483 | 0.71 | — | — | |
| SCHEMBL20345766 | 0.62 | NOS3 (0.35) | — | |
| SCHEMBL9795604 | 0.58 | — | — | |
| SCHEMBL763460 | 0.58 | — | — | |
| SCHEMBL3668918 | 0.55 | — | — | |
| SCHEMBL13348018 | 0.52 | NOS3 (0.40) | — | |
| SCHEMBL3676791 | 0.52 | NOS3 (0.40) | — | |
| SCHEMBL12514645 | 0.52 | NOS3 (0.40) | — | |
| SCHEMBL583260 | 0.46 | — | — | |
| SCHEMBL31270953 | 0.41 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180036300-A1 | SUBSTITUTED N-BICYCLO-2-ARYL-QUINOLIN-4-CARBOXAMIDES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-02-08 | — | — | US | disclosed |