⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL783095 | 0.72 | — | — | |
| Water SCHEMBL10620440 | 0.70 | NAPRT (0.48) | — | |
| SCHEMBL31748497 | 0.59 | — | — | |
| SCHEMBL19354661 | 0.59 | NAPRT (0.42) | — | |
| SCHEMBL8521071 | 0.53 | CYP1A2 (0.44) | — | |
| SCHEMBL791300 | 0.53 | — | — | |
| SCHEMBL91340 | 0.53 | ALDH1A1 (0.45) | — | |
| SCHEMBL31010029 | 0.53 | — | — | |
| SCHEMBL2540575 | 0.52 | POLB (0.43) | — | |
| SCHEMBL10620416 | 0.51 | LMNA (0.33) | — |
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-20170088542-A1 | QUINOLINE DERIVATIVE | ONO PHARMACEUTICAL CO., LTD. (JP) | 2017-03-30 | — | — | US | disclosed |
| US-9573935-B2 | Quinoline derivative | ONO PHARMACEUTICAL CO., LTD. (JP) | 2017-02-21 | — | — | US | disclosed |
| US-20160168121-A1 | QUINOLINE DERIVATIVE | ONO PHARMACEUTICAL CO., LTD. (JP) | 2016-06-16 | — | — | US | disclosed |