⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14331259 | 0.82 | CYP2C19 (0.41) | — | |
| SCHEMBL14331246 | 0.81 | KDM1A (0.37) | — | |
| SCHEMBL14331303 | 0.81 | LRRK2 (0.32) | — | |
| SCHEMBL14331296 | 0.81 | — | — | |
| SCHEMBL14331350 | 0.81 | DRD2 (0.36) | — | |
| SCHEMBL15518188 | 0.80 | PARP1 (0.33) | — | |
| SCHEMBL14331267 | 0.79 | IDH1 (0.38) | — | |
| SCHEMBL14331230 | 0.76 | IDH1 (0.35) | — | |
| SCHEMBL14331309 | 0.76 | IDH1 (0.35) | — | |
| SCHEMBL14331324 | 0.76 | HTT (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2558449-B1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-03-05 | — | — | EP | claimed |