⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13495327 | 0.67 | — | — | |
| SCHEMBL4608600 | 0.67 | — | — | |
| SCHEMBL22321658 | 0.49 | — | — | |
| SCHEMBL33719 | 0.49 | — | — | |
| SCHEMBL29878415 | 0.48 | ALOX15 (0.46) | — | |
| SCHEMBL67808 | 0.48 | ALOX15 (0.46) | — | |
| SCHEMBL31467744 | 0.47 | ALDH1A1 (0.56) | — | |
| SCHEMBL31467743 | 0.47 | ALDH1A1 (0.56) | — | |
| SCHEMBL14771417 | 0.46 | BACE1 (0.31) | — | |
| SCHEMBL3817409 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2016196337-A1 | TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2016-12-08 | — | — | WO | disclosed |