⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26937821 | 0.79 | — | — | |
| SCHEMBL22132907 | 0.75 | — | — | |
| SCHEMBL25081776 | 0.72 | — | — | |
| SCHEMBL11776807 | 0.71 | LMNA (0.30) | — | |
| SCHEMBL13959902 | 0.71 | MEN1 (0.40) | — | |
| SCHEMBL25081718 | 0.71 | — | — | |
| SCHEMBL24886163 | 0.70 | INMT (0.39) | — | |
| SCHEMBL24886243 | 0.70 | INMT (0.39) | — | |
| SCHEMBL22365098 | 0.70 | — | — | |
| SCHEMBL10426931 | 0.70 | CHRM2 (0.46) | — |
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-9650386-B2 | Quinoline-substituted compound | Taiho Pharmaceutical Co., Inc. (JP) | 2017-05-16 | — | — | US | disclosed |