⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13924830 | 0.74 | — | — | |
| SCHEMBL28081388 | 0.74 | IDO1 (0.31) | — | |
| SCHEMBL28081379 | 0.71 | — | — | |
| SCHEMBL13900980 | 0.71 | CYP2C9 (0.32) | — | |
| SCHEMBL14473283 | 0.71 | CYP2C9 (0.32) | — | |
| SCHEMBL30155 | 0.71 | LMNA (0.32) | — | |
| SCHEMBL30203 | 0.71 | CYP2C9 (0.32) | — | |
| SCHEMBL14640205 | 0.71 | LMNA (0.32) | — | |
| SCHEMBL16800305 | 0.70 | GBA1 (0.33) | — | |
| SCHEMBL7286264 | 0.69 | GBA1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2652088-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2014-10-15 | — | — | EP | disclosed |
| WO-2012079710-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2012-06-21 | — | — | WO | disclosed |