⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16588473 | 1.00 | — | — | |
| SCHEMBL16588492 | 0.95 | — | — | |
| SCHEMBL16588481 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL16588485 | 0.91 | PPP5C (0.31) | — | |
| SCHEMBL16588489 | 0.91 | PPP5C (0.31) | — | |
| SCHEMBL16588502 | 0.90 | GBA1 (0.33) | — | |
| SCHEMBL16588482 | 0.89 | PPP5C (0.31) | — | |
| SCHEMBL16588493 | 0.88 | GBA1 (0.35) | — | |
| SCHEMBL16588488 | 0.88 | GBA1 (0.33) | — | |
| SCHEMBL16588491 | 0.87 | GBA1 (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-2686402-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-03-25 | — | — | EP | disclosed |