⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1126384 | 0.70 | — | — | |
| SCHEMBL3340184 | 0.70 | CRBN (0.39) | — | |
| SCHEMBL13911377 | 0.69 | NPC1 (0.47) | — | |
| SCHEMBL18019315 | 0.68 | — | — | |
| SCHEMBL1586116 | 0.68 | — | — | |
| SCHEMBL3182138 | 0.68 | — | — | |
| SCHEMBL20329604 | 0.68 | — | — | |
| SCHEMBL2491333 | 0.67 | — | — | |
| SCHEMBL11568357 | 0.67 | CRBN (0.55) | — | |
| SCHEMBL13907678 | 0.66 | NPC1 (0.53) | — |
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-2590960-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-06-11 | — | — | EP | disclosed |
| WO-2001027087-A2 | PROCESS FOR MAKING BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/DIHYDROTHIOURACILS | THE PROCTER & GAMBLE COMPANY (US) | 2001-04-19 | — | — | WO | disclosed |