⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1515671 | 0.78 | — | — | |
| SCHEMBL6262996 | 0.70 | — | — | |
| SCHEMBL4302318 | 0.69 | — | — | |
| SCHEMBL11208160 | 0.67 | — | — | |
| SCHEMBL10907087 | 0.67 | NPC1 (0.30) | — | |
| SCHEMBL24503309 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL11571501 | 0.67 | — | — | |
| SCHEMBL578060 | 0.67 | — | — | |
| SCHEMBL426487 | 0.67 | — | — | |
| Dimethylcarbate SCHEMBL1232328 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2188276-A1 | SUBSTITUTED HYDANTOINS | F. Hoffmann-Roche AG (CH) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009021887-A1 | SUBSTITUTED HYDANTOINS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-19 | — | — | WO | disclosed |