⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18087351 | 0.94 | — | — | |
| SCHEMBL16855265 | 0.87 | — | — | |
| SCHEMBL15221214 | 0.81 | — | — | |
| SCHEMBL16378275 | 0.81 | — | — | |
| SCHEMBL16844790 | 0.80 | — | — | |
| SCHEMBL16588504 | 0.78 | GBA1 (0.34) | — | |
| SCHEMBL16588483 | 0.78 | PPP5C (0.33) | — | |
| SCHEMBL18307208 | 0.77 | MAPT (0.36) | — | |
| SCHEMBL15196184 | 0.77 | — | — | |
| SCHEMBL16588506 | 0.77 | GBA1 (0.36) | — |
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-2542647-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-09-16 | — | — | EP | disclosed |