⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9718829 | 0.75 | CYP1A2 (0.32) | — | |
| SCHEMBL7156527 | 0.65 | JAK2 (0.31) | — | |
| SCHEMBL9718917 | 0.61 | CYP2A6 (0.40) | — | |
| SCHEMBL17229205 | 0.53 | — | — | |
| SCHEMBL14562749 | 0.51 | ALDH1A1 (0.35) | — | |
| SCHEMBL2517442 | 0.51 | ALDH1A1 (0.35) | — | |
| SCHEMBL7996476 | 0.51 | ALDH1A1 (0.35) | — | |
| SCHEMBL2471569 | 0.51 | TSHR (0.57) | — | |
| SCHEMBL8865312 | 0.51 | S1PR1 (0.31) | — | |
| SCHEMBL4515166 | 0.50 | — | — |
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-20120225903-A1 | Novel 2-Substituted Quinoline Derivatives, And Method For Preparing Same | ALPHA CHIMICA (FR) | 2012-09-06 | — | — | US | disclosed |