⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1067063 | 0.71 | — | — | |
| SCHEMBL13618610 | 0.71 | — | — | |
| SCHEMBL14342118 | 0.70 | — | — | |
| SCHEMBL12327991 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL14342286 | 0.69 | — | — | |
| SCHEMBL14342115 | 0.69 | — | — | |
| SCHEMBL21017220 | 0.68 | — | — | |
| SCHEMBL24425424 | 0.65 | — | — | |
| SCHEMBL708464 | 0.65 | — | — | |
| SCHEMBL24038104 | 0.65 | — | — |
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-2542648-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2016-04-06 | — | — | EP | disclosed |